Geometry & MOs

Info

ID:	186730
PubChem CID:	77474394
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-120.8
Dipole, Da:	4.2
IP(EA), eV:	-9.13(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-methyl-6-oxo-N-(2-piperidin-1-ylethylcarbamoyl)-2,3,4,4a,5,7,8,8a-octahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C(=O)C1CC2CC(=O)CCC2N(C1)C)C(=O)NCCC3=CN=CC=C3

DOS

IR

Vibrations