Geometry & MOs

Info

ID:	163015
PubChem CID:	57581373
Reduced:	NO3H15C16 (2)
Stoich.:	AB3C15D16 (2)
Weight, g/mol:	469.200156
ΔH_f, kcal/mol:	-151.48
Dipole, Da:	3.92
IP(EA), eV:	-8.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-diethoxyphenyl)-4-oxo-N-(4-pyridin-4-ylquinolin-2-yl)butanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4C(=O)O)OCC

DOS

IR

Vibrations