Geometry & MOs

Info

ID:	372255
PubChem CID:	131294713
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	233.071975
ΔH_f, kcal/mol:	47.08
Dipole, Da:	3.06
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-chloro-1-methylindol-5-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CNC2=C1C=C(C=C2Cl)CC(C#N)N

DOS

IR

Vibrations