Geometry & MOs

Info

ID:	383741
PubChem CID:	134975633
Reduced:	LiO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	6.11
IP(EA), eV:	-7.58(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol

Drug info:

PubChemData

Smile

[Li+].CCO[CH-]C#CC(OCC)OCC

DOS

IR

Vibrations