Geometry & MOs

Info

ID:

146053

PubChem CID:

53628221

Reduced:

H2O2C3Cl3 (1)

Stoich.:

A2B2C3D3 (1)

Weight, g/mol:

167.104799

ΔHf, kcal/mol:

-80.42

Dipole, Da:

2.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756788

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C(C(Cl)(Cl)Cl)O[C]=O

DOS

IR

Vibrations