Geometry & MOs

Info

ID:	4592
PubChem CID:	11688
Reduced:	C2H3N3O6 (1)
Stoich.:	A2B3C3D6 (1)
Weight, g/mol:	165.002185
ΔH_f, kcal/mol:	1.84
Dipole, Da:	3.39
IP(EA), eV:	-12.13(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trinitroethane

Drug info:

PubChemData

Smile

CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations