Geometry & MOs

Info

ID:	78968
PubChem CID:	49742901
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	5.7
IP(EA), eV:	-8.85(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)C(=O)NC3=CC4=C(C=C3)C(=CC(=O)N4)C(C)C

DOS

IR

Vibrations