Geometry & MOs

Info

ID:	374068
PubChem CID:	131323254
Reduced:	BrNOF3H5C9 (1)
Stoich.:	ABCD3E5F9 (1)
Weight, g/mol:	278.95066
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	5.18
IP(EA), eV:	-10.0(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-3-hydroxy-5-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(F)(F)F)CC#N)O)Br

DOS

IR

Vibrations