Geometry & MOs

Info

ID:	374686
PubChem CID:	131342454
Reduced:	BrN2O4H5C7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	266.93426
ΔH_f, kcal/mol:	-65.47
Dipole, Da:	5.55
IP(EA), eV:	-10.05(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1O)[N+](=O)[O-])C(=O)N)Br

DOS

IR

Vibrations