Geometry & MOs

Info

ID:	220572
PubChem CID:	85197855
Reduced:	PO5C16H29 (1)
Stoich.:	AB5C16D29 (1)
Weight, g/mol:	332.183503
ΔH_f, kcal/mol:	-307.07
Dipole, Da:	2.62
IP(EA), eV:	-9.05(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxybutyl] acetate

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=CCCCCCC2(C1)OCCO2)OCC

DOS

IR

Vibrations