Geometry & MOs

Info

ID:	7644
PubChem CID:	73595
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-190.5
Dipole, Da:	4.8
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,10R,11R,12R,16S)-2-hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCC(=CCC[C@@]([C@H]2C[C@@H]3[C@H]([C@@H]1O2)OC(=O)C3=C)(C)O)C

DOS

IR

Vibrations