Geometry & MOs

Info

ID:	401127
PubChem CID:	135050254
Reduced:	LiOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-8.18
Dipole, Da:	16.59
IP(EA), eV:	-5.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations