Geometry & MOs

Info

ID:	374218
PubChem CID:	131325567
Reduced:	BrNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-153.69
Dipole, Da:	7.85
IP(EA), eV:	-10.56(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-1-methyl-4-nitro-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(F)(F)F)[N+](=O)[O-])CBr

DOS

IR

Vibrations