Geometry & MOs

Info

ID:	373210
PubChem CID:	131311633
Reduced:	BrClOF2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	283.94151
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	2.53
IP(EA), eV:	-9.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-1-chloro-5-(difluoromethoxy)-3-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)OC(F)F)CBr

DOS

IR

Vibrations