Geometry & MOs

Info

ID:	195176
PubChem CID:	78650335
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	395.059217
ΔH_f, kcal/mol:	100.28
Dipole, Da:	3.39
IP(EA), eV:	-8.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-3-(2-chloro-7-methylquinolin-3-yl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C=C(C#N)C2=NN=C3N2CCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations