Geometry & MOs

Info

ID:	373160
PubChem CID:	131310877
Reduced:	FNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	275.94652
ΔH_f, kcal/mol:	-96.24
Dipole, Da:	2.37
IP(EA), eV:	-8.89(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-bromo-3-chloro-6-fluorophenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1[C@H](CCF)N)C)O

DOS

IR

Vibrations