Geometry & MOs

Info

ID:	66252
PubChem CID:	46501171
Reduced:	Cl2O3N4C20H20 (1)
Stoich.:	A2B3C4D20E20 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	3.79
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(E)-[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)N/N=C(\C)/CC(=O)NC2=C(C(=CC=C2)Cl)C)Cl

DOS

IR

Vibrations