Geometry & MOs

Info

ID:	409233
PubChem CID:	135082013
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	186.159594
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	2.31
IP(EA), eV:	-8.9(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC/C=C/C1CCC(=C1)O

DOS

IR

Vibrations