Geometry & MOs

Info

ID:	7426
PubChem CID:	72536
Reduced:	O3C21H28 (1)
Stoich.:	A3B21C28 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-62.63
Dipole, Da:	8.87
IP(EA), eV:	-8.22(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,6aS,12aR,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthen-9-one

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CC[C@]3([C@@H]2C=C4C=C(C(=O)C=C4O3)O)C)(C)C

DOS

IR

Vibrations