Geometry & MOs

Info

ID:	408813
PubChem CID:	135081582
Reduced:	ClO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-76.02
Dipole, Da:	1.62
IP(EA), eV:	-8.94(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,12S,16R)-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=C([C@@H]2[C@H]1CCCCC2)Cl

DOS

IR

Vibrations