Geometry & MOs

Info

ID:	162996
PubChem CID:	57581300
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	484.199822
ΔH_f, kcal/mol:	-12.7
Dipole, Da:	2.34
IP(EA), eV:	-8.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-diethoxyphenyl)-4-oxo-N-[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinolin-2-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC(=NC(=C1)N)C2=CC=CC=C2

DOS

IR

Vibrations