Geometry & MOs

Info

ID:	221341
PubChem CID:	85267786
Reduced:	O9C19H34 (1)
Stoich.:	A9B19C34 (1)
Weight, g/mol:	406.199153
ΔH_f, kcal/mol:	-434.09
Dipole, Da:	2.42
IP(EA), eV:	-10.1(0.79)
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-hydroxypent-4-enyl] benzoate

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C2C(C(C(O2)CCO)OCOC)O)COC(=O)C(C)(C)C)C

DOS

IR

Vibrations