Geometry & MOs

Info

ID:	374440
PubChem CID:	131329498
Reduced:	ClON3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	203.085875
ΔH_f, kcal/mol:	36.87
Dipole, Da:	6.56
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CC1=NC(=C2N1C(=CC=C2)Cl)C#N

DOS

IR

Vibrations