Geometry & MOs

Info

ID:	320007
PubChem CID:	126657842
Reduced:	ClFO2N6C34H40 (1)
Stoich.:	ABC2D6E34F40 (1)
Weight, g/mol:	594.5852
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	4.32
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2,2-dimethylpropyl)-6-methyl-6-azaspiro[2.5]oct-4-en-5-yl]methyl]-N-methyl-2-[1-methyl-3-(2,5,5-trimethyl-7-spiro[3.5]nonan-2-ylheptan-2-yl)cyclobutyl]ethanamine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN1C[C@@H]2[C@H](C1)C2CCOC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)/C=C/CN6CCC7CCCC6C7

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN1C[C@@H]2[C@H](C1)C2CCOC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)/C=C/CN6CCC7CCCC6C7

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):