Geometry & MOs

Info

ID:	172846
PubChem CID:	75559204
Reduced:	ClN2H15C20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	362.04186
ΔH_f, kcal/mol:	104.59
Dipole, Da:	3.42
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=CC=C2)C=C(C#N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations