Geometry & MOs

Info

ID:	403423
PubChem CID:	135060204
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	478.184368
ΔH_f, kcal/mol:	-27.28
Dipole, Da:	5.83
IP(EA), eV:	-8.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-1,2,3,4,6,7,8,9-octahydropyrido[4,3-b]indole

Drug info:

PubChemData

Smile

COCN1C2=CC=CC=C2C3=C1C(=C)CNC3=O

DOS

IR

Vibrations