Geometry & MOs

Info

ID:	371742
PubChem CID:	131271444
Reduced:	FNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	219.056325
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	3.2
IP(EA), eV:	-8.76(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C[C@@H](C1=C(C2=C(CCCO2)C=C1)F)N

DOS

IR

Vibrations