Geometry & MOs

Info

ID:	373313
PubChem CID:	131313122
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	59.2
Dipole, Da:	4.38
IP(EA), eV:	-8.5(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(6-methyl-1H-indol-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2)C(CN)C#N

DOS

IR

Vibrations