Geometry & MOs

Info

ID:	24432
PubChem CID:	610235
Reduced:	N3H13C16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	247.110947
ΔH_f, kcal/mol:	100.5
Dipole, Da:	3.95
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(N2CCC#N)N=CC=C3

DOS

IR

Vibrations