Geometry & MOs

Info

ID:	123599
PubChem CID:	50855098
Reduced:	ON4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	270.115698
ΔH_f, kcal/mol:	87.4
Dipole, Da:	6.85
IP(EA), eV:	-8.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-phenyl-3-(1-phenylpyrrol-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N/N=C\C3=CN(C=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations