Geometry & MOs

Info

ID:	374388
PubChem CID:	131328100
Reduced:	BrOF2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	261.98048
ΔH_f, kcal/mol:	-129.61
Dipole, Da:	3.39
IP(EA), eV:	-9.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-bromo-2-(difluoromethyl)-3-methylphenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(=O)C)C(F)F

DOS

IR

Vibrations