Geometry & MOs

Info

ID:	123556
PubChem CID:	50854107
Reduced:	OCl2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	18.54
Dipole, Da:	8.02
IP(EA), eV:	-8.9(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-cyclopentylpyrrol-3-yl)-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=C2)/C=C(\C#N)/C(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations