Geometry & MOs

Info

ID:	396317
PubChem CID:	135028052
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	222.140851
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	1.4
IP(EA), eV:	-9.94(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC([C@H]1[C@H](OC(O1)(C)C)C=C)O

DOS

IR

Vibrations