Geometry & MOs

Info

ID:	49109
PubChem CID:	11528720
Reduced:	ClN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	228.045426
ΔH_f, kcal/mol:	-79.67
Dipole, Da:	2.56
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(2-chlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)OC)N)Cl

DOS

IR

Vibrations