Geometry & MOs

Info

ID:	418811
PubChem CID:	135106857
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	359.17644
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	5.99
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(7-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

CNCC1CCN(CC1)C(=O)[C@@H]2[C@H](NC(=O)CO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations