Geometry & MOs

Info

ID:	380365
PubChem CID:	134970790
Reduced:	OC10H17 (2)
Stoich.:	AB10C17 (2)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-138.15
Dipole, Da:	1.58
IP(EA), eV:	-8.87(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CCC3(OCCO3)C

DOS

IR

Vibrations