Geometry & MOs

Info

ID:	78900
PubChem CID:	49742670
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	333.111341
ΔH_f, kcal/mol:	-71.42
Dipole, Da:	11.67
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[4-(methoxymethyl)-2-oxo-1H-quinolin-7-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)N3)COC

DOS

IR

Vibrations