Geometry & MOs

Info

ID:	5005
PubChem CID:	12423
Reduced:	CIN3O6 (1)
Stoich.:	ABC3D6 (1)
Weight, g/mol:	276.88318
ΔH_f, kcal/mol:	45.61
Dipole, Da:	3.19
IP(EA), eV:	-11.44(-3.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo(trinitro)methane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations