Geometry & MOs

Info

ID:	338653
PubChem CID:	127259664
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	5.09
IP(EA), eV:	-9.27(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-(butylamino)-1-(4-cyanophenyl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)C/C(=C/C(=O)NC(=O)C1=CC=CC=C1)/N2CCCC2

DOS

IR

Vibrations