Geometry & MOs

Info

ID:	66253
PubChem CID:	46501176
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-11.21
Dipole, Da:	9.62
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations