Geometry & MOs

Info

ID:	127889
PubChem CID:	51021427
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-75.65
Dipole, Da:	3.66
IP(EA), eV:	-9.74(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,7R,8R)-4-hydroxy-8-methyl-7-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

Drug info:

PubChemData

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C[C@@H]([C@H]1[C@@H]2C[C@H]([C@H]1CO)C=C2)O

DOS

IR

Vibrations