Geometry & MOs

Info

ID:	373204
PubChem CID:	131311490
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	251.95975
ΔH_f, kcal/mol:	-175.17
Dipole, Da:	4.69
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(difluoromethyl)-5-(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)CCl)OC(F)F

DOS

IR

Vibrations