Geometry & MOs

Info

ID:	337922
PubChem CID:	127258545
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-109.03
Dipole, Da:	1.02
IP(EA), eV:	-8.66(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-phenoxyethyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)OC1=CC=C(C=C1)CC2=CC=CC=C2

DOS

IR

Vibrations