Geometry & MOs

Info

ID:	123600
PubChem CID:	50855105
Reduced:	N2H14C19 (1)
Stoich.:	A2B14C19 (1)
Weight, g/mol:	347.08254
ΔH_f, kcal/mol:	122.35
Dipole, Da:	6.74
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chlorophenyl)-2-cyano-3-(1-phenylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C2=CN(C=C2)C3=CC=CC=C3)/C#N

DOS

IR

Vibrations