Geometry & MOs

Info

ID:	414373
PubChem CID:	135087329
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	359.17644
ΔH_f, kcal/mol:	-116.87
Dipole, Da:	4.7
IP(EA), eV:	-9.07(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(6-chloro-4-methylquinolin-2-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations