Geometry & MOs

Info

ID:	15425
PubChem CID:	441228
Reduced:	ClOC3H3 (2)
Stoich.:	ABC3D3 (2)
Weight, g/mol:	179.974485
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	3.08
IP(EA), eV:	-9.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichlorocyclohexa-3,5-diene-1,2-diol

Drug info:

PubChemData

Smile

C1=C(C(C(C(=C1)Cl)O)O)Cl

DOS

IR

Vibrations