Geometry & MOs

Info

ID:	374217
PubChem CID:	131325557
Reduced:	BrNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-151.18
Dipole, Da:	2.32
IP(EA), eV:	-10.48(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(F)(F)F)CBr)[N+](=O)[O-]

DOS

IR

Vibrations