Geometry & MOs

Info

ID:	52581
PubChem CID:	12015506
Reduced:	NO2C27H35 (1)
Stoich.:	AB2C27D35 (1)
Weight, g/mol:	389.271865
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	2.17
IP(EA), eV:	-8.37(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-5-methyl-2-[2-[(1R,8S,11S)-1-methyl-11-phenyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]propan-2-yl]cyclohexan-1-ol

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

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@@H]3[C@@H]([C@H]2C4=CC=CC=C34)C5=CC=CC=C5OC

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

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@@H]3[C@@H]([C@H]2C4=CC=CC=C34)C5=CC=CC=C5OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):