Geometry & MOs

Info

ID:	216826
PubChem CID:	85086840
Reduced:	ClMnO6C9H13 (1)
Stoich.:	ABC6D9E13 (1)
Weight, g/mol:	236.045151
ΔH_f, kcal/mol:	-152.8
Dipole, Da:	8.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.903946
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4,4-dimethyl-3,5,10-trioxatricyclo[5.2.1.02,6]decane-8,9-diol

Drug info:

PubChemData

Smile

CC1(OC2C3C(C(C(C2O1)(O3)Cl)O)O)C.O=[Mn]

DOS

IR

Vibrations