Geometry & MOs

Info

ID:	374521
PubChem CID:	131330801
Reduced:	INF2O3H6C8 (1)
Stoich.:	ABC2D3E6F8 (1)
Weight, g/mol:	365.8701
ΔH_f, kcal/mol:	-99.59
Dipole, Da:	4.8
IP(EA), eV:	-9.94(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(bromomethyl)-5-(difluoromethoxy)-2-(difluoromethyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C(F)F)I)[N+](=O)[O-]

DOS

IR

Vibrations