Geometry & MOs

Info

ID:	128954
PubChem CID:	51064207
Reduced:	Cl2O3N4H18C19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	420.277678
ΔH_f, kcal/mol:	-70.73
Dipole, Da:	1.89
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-decoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations