Geometry & MOs

Info

ID:	374425
PubChem CID:	131329068
Reduced:	BrOF2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	260.96008
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	3.28
IP(EA), eV:	-9.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-(difluoromethyl)-3-hydroxyphenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(=O)C)Br)C(F)F

DOS

IR

Vibrations