Geometry & MOs

Info

ID:	410637
PubChem CID:	135083438
Reduced:	LiOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	138.104465
ΔH_f, kcal/mol:	-68.97
Dipole, Da:	5.53
IP(EA), eV:	-7.63(2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[Li+].C1CC[C@H]2[C@H](C1)CC=C2[O-]

DOS

IR

Vibrations