Geometry & MOs

Info

ID:	27462
PubChem CID:	821455
Reduced:	O3C20H34 (1)
Stoich.:	A3B20C34 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-198.79
Dipole, Da:	4.89
IP(EA), eV:	-9.86(2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,4aR,8aR)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one

Drug info:

PubChemData

Smile

C[C@@]12[C@H](CC[C@@]34[C@H]1C[C@@H](CC3)[C@@](C4)(CO)O)C(CC[C@H]2O)(C)C

DOS

IR

Vibrations