Geometry & MOs

Info

ID:	83501
PubChem CID:	49857666
Reduced:	N3H13C17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	246.079313
ΔH_f, kcal/mol:	119.18
Dipole, Da:	6.47
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1-benzofuran-3-yl)-3-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)/C(=C/C3=CN=CC=C3)/C#N

DOS

IR

Vibrations