Geometry & MOs

Info

ID:	19621
PubChem CID:	569186
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-214.01
Dipole, Da:	3.67
IP(EA), eV:	-10.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(acetyloxymethyl)-3-hydroxy-2-methylpropyl] benzoate

Drug info:

PubChemData

Smile

CC(=O)OCC(C)(CO)COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations