Geometry & MOs

Info

ID:	172845
PubChem CID:	75559203
Reduced:	ClO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	318.092376
ΔH_f, kcal/mol:	18.11
Dipole, Da:	4.93
IP(EA), eV:	-8.41(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-(5-methyl-1-phenylpyrrol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=CC=C2)C=NNC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations