Geometry & MOs

Info

ID:	318769
PubChem CID:	126653083
Reduced:	N2F3O4C28H33 (1)
Stoich.:	A2B3C4D28E33 (1)
Weight, g/mol:	518.239242
ΔH_f, kcal/mol:	-312.64
Dipole, Da:	4.46
IP(EA), eV:	-8.36(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-9-[(6-methoxynaphthalen-2-yl)methyl]-4-(3,3,3-trifluoropropanoyl)-4,9-diazatricyclo[4.3.1.03,8]decan-2-yl] 2,2-dimethylpropanoate

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

CC(C)(C)C(=O)O[C@H]1[C@@H]2CC3C[C@H](C1N(C3)C(=O)CC(F)(F)F)N2CC4=CC5=C(C=C4)C=C(C=C5)OC

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

CC(C)(C)C(=O)O[C@H]1[C@@H]2CC3C[C@H](C1N(C3)C(=O)CC(F)(F)F)N2CC4=CC5=C(C=C4)C=C(C=C5)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):