Geometry & MOs

Info

ID:	21053
PubChem CID:	587048
Reduced:	ClO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	343.108754
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	5.96
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)C2=CC=CC=C2Cl)C

DOS

IR

Vibrations