Geometry & MOs

Info

ID:	338862
PubChem CID:	127259873
Reduced:	ClNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-57.76
Dipole, Da:	4.93
IP(EA), eV:	-9.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl 2-acetyloxyacetate

Drug info:

PubChemData

Smile

CCCOC(=N)CC1=CC=CC=C1.Cl

DOS

IR

Vibrations