Geometry & MOs

Info

ID:	410639
PubChem CID:	135083440
Reduced:	LiOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	5.55
IP(EA), eV:	-7.64(2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-8a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-ol

Drug info:

PubChemData

Smile

[Li+].C[C@]12CCCC[C@@H]1CCC=C2[O-]

DOS

IR

Vibrations