Geometry & MOs

Info

ID:	78992
PubChem CID:	49743010
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	278.082205
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	5.17
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-ethyl-2-oxo-1H-quinolin-7-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CCCCl

DOS

IR

Vibrations