Geometry & MOs

Info

ID:	359740
PubChem CID:	127299687
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-44.25
Dipole, Da:	5.86
IP(EA), eV:	-8.97(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)C3=CNC=C3)C)C

DOS

IR

Vibrations