Geometry & MOs

Info

ID:	81642
PubChem CID:	49854955
Reduced:	ClN2H11C17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	245.095297
ΔH_f, kcal/mol:	99.86
Dipole, Da:	6.35
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(1H-indol-3-yl)-2-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CC=C(C=C3)Cl)/C#N

DOS

IR

Vibrations