Geometry & MOs

Info

ID:	8553
PubChem CID:	79120
Reduced:	ClC2N2H3O5 (1)
Stoich.:	AB2C2D3E5 (1)
Weight, g/mol:	169.973049
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	2.0
IP(EA), eV:	-11.58(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2,2-dinitroethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations