Geometry & MOs

Info

ID:	48225
PubChem CID:	10538115
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-214.93
Dipole, Da:	5.41
IP(EA), eV:	-10.83(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7R,9S)-5,11-dimethylidenetetracyclo[7.3.1.13,7.02,8]tetradecane-13,14-dione

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@H]([C@@H](C(=O)O1)C)C(=O)OCC

DOS

IR

Vibrations