Geometry & MOs

Info

ID:	435975
PubChem CID:	135193121
Reduced:	ClO3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	2.3
IP(EA), eV:	-9.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,6S,8R,9S,10R)-9,10-dimethyl-5-methylidene-2,4,7-trioxatricyclo[4.3.1.03,8]decane

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)C(=O)OC=O

DOS

IR

Vibrations