Geometry & MOs

Info

ID:	338662
PubChem CID:	127259673
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-26.27
Dipole, Da:	3.01
IP(EA), eV:	-9.54(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-cyanophenyl)-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)/C(=C/C2=CC=C(C=C2)C#N)/NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations