Geometry & MOs

Info

ID:	374690
PubChem CID:	131342461
Reduced:	BrNF2O3H4C7 (1)
Stoich.:	ABC2D3E4F7 (1)
Weight, g/mol:	266.93426
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	6.21
IP(EA), eV:	-10.54(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(difluoromethyl)-5-nitrophenol

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1[N+](=O)[O-])O)Br)C(F)F

DOS

IR

Vibrations