Geometry & MOs

Info

ID:	339104
PubChem CID:	127260361
Reduced:	O5C13H18 (1)
Stoich.:	A5B13C18 (1)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-216.89
Dipole, Da:	2.06
IP(EA), eV:	-10.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hexanoyloxy-2-hydroxyethyl) benzoate

Drug info:

PubChemData

Smile

CC(COC(C(C)OC(=O)C1=CC=CC=C1)O)O

DOS

IR

Vibrations