Geometry & MOs

Info

ID:	12143
PubChem CID:	131285
Reduced:	O2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	292.24023
ΔH_f, kcal/mol:	-150.69
Dipole, Da:	2.21
IP(EA), eV:	-9.99(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S,3aR,5aR,6S,9aS,9bR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC[C@@]1(CCC[C@H]2[C@H]1CC[C@@]3([C@@H]2CC[C@@H]3O)C)C

DOS

IR

Vibrations