Geometry & MOs

Info

ID:	419701
PubChem CID:	135108721
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	3.25
IP(EA), eV:	-9.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CC=C1)C(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations