Geometry & MOs

Info

ID:	409234
PubChem CID:	135082014
Reduced:	LiOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-89.92
Dipole, Da:	5.75
IP(EA), eV:	-7.39(2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-3,3a,7a-trimethyl-4,5,6,7-tetrahydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

[Li+].CC1=C(C[C@@]2([C@]1(CCCC2)C)C)[O-]

DOS

IR

Vibrations