Geometry & MOs

Info

ID:	82357
PubChem CID:	49855932
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-113.15
Dipole, Da:	4.15
IP(EA), eV:	-9.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,9R,11S)-11-hydroxy-5,5,9-trimethyl-3-oxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CC([C@H]3[C@@]2(O3)C(=C1)C(=O)OC)(C)C

DOS

IR

Vibrations