Geometry & MOs

Info

ID:	78991
PubChem CID:	49743008
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	292.097855
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	4.05
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations