Geometry & MOs

Info

ID:	16892
PubChem CID:	478686
Reduced:	O2N3H17C22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	355.132077
ΔH_f, kcal/mol:	4.59
Dipole, Da:	5.97
IP(EA), eV:	-9.26(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(C(=O)C3=C2C=C(C=C3)C4=CC=NC=C4)C(=O)N

DOS

IR

Vibrations