Geometry & MOs

Info

ID:	374389
PubChem CID:	131328101
Reduced:	BrOF2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	261.98048
ΔH_f, kcal/mol:	-126.92
Dipole, Da:	3.61
IP(EA), eV:	-9.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-4-(difluoromethyl)-2-methylphenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations