Geometry & MOs

Info

ID:	81448
PubChem CID:	49854737
Reduced:	ClN3H10C16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	247.110947
ΔH_f, kcal/mol:	110.78
Dipole, Da:	7.05
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-3-pyridin-3-ylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)/C=C(\C#N)/C2=CNC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations