Geometry & MOs

Info

ID:	174887
PubChem CID:	75826603
Reduced:	O5C19H21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	261.133813
ΔH_f, kcal/mol:	-139.17
Dipole, Da:	5.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780627
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-(3,4-dihydroxypentyl)-5-methyl-1,3-dioxolan-4-yl]propanoate

Drug info:

PubChemData

Smile

CC12C3C(C45CC(CCC4C3=CC(C1O)OC2=O)C(=C)C5)C(=O)[O-]

DOS

IR

Vibrations