Geometry & MOs

Info

ID:	372619
PubChem CID:	131301028
Reduced:	SCl2N4C6H8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	303.95222
ΔH_f, kcal/mol:	53.45
Dipole, Da:	4.37
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroethanol

Drug info:

PubChemData

Smile

CN1C(=NN=C1SC/C(=C/Cl)/Cl)N

DOS

IR

Vibrations