Geometry & MOs

Info

ID:	319782
PubChem CID:	126657285
Reduced:	OC9H18 (2)
Stoich.:	AB9C18 (2)
Weight, g/mol:	282.219495
ΔH_f, kcal/mol:	-171.43
Dipole, Da:	5.27
IP(EA), eV:	-10.46(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(2-pentyloctyl)-1,3-dioxol-2-one

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)CC(C)(C)C(=O)O

DOS

IR

Vibrations