Geometry & MOs

Info

ID:	4333
PubChem CID:	11220
Reduced:	BrCN3O6 (1)
Stoich.:	ABC3D6 (1)
Weight, g/mol:	228.89705
ΔH_f, kcal/mol:	-2.11
Dipole, Da:	2.27
IP(EA), eV:	-12.07(-2.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bromo(trinitro)methane

Drug info:

PubChemData

Smile

C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])Br

DOS

IR

Vibrations