Geometry & MOs

Info

ID:	123597
PubChem CID:	50855046
Reduced:	ON3H17C21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	341.152812
ΔH_f, kcal/mol:	73.65
Dipole, Da:	5.6
IP(EA), eV:	-8.66(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-phenylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)/C(=C/C2=CN(C=C2)C3=CC=CC=C3)/C#N

DOS

IR

Vibrations