Geometry & MOs

Info

ID:	144520
PubChem CID:	53380367
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	319.204848
ΔH_f, kcal/mol:	7.44
Dipole, Da:	1.21
IP(EA), eV:	-8.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2CCN(CC3CC(C4=CC=NC=C4)O)C

DOS

IR

Vibrations