Geometry & MOs

Info

ID:	338633
PubChem CID:	127259644
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	5.8
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(Z)-3-(diethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations