Geometry & MOs

Info

ID:	374067
PubChem CID:	131323246
Reduced:	INOF3H7C10 (1)
Stoich.:	ABCD3E7F10 (1)
Weight, g/mol:	278.95066
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	5.99
IP(EA), eV:	-9.72(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-2-hydroxy-6-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1CC#N)C(F)(F)F)I

DOS

IR

Vibrations