Geometry & MOs

Info

ID:	338907
PubChem CID:	127259918
Reduced:	NSO8C13H13 (1)
Stoich.:	ABC8D13E13 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-263.21
Dipole, Da:	5.54
IP(EA), eV:	-9.77(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 2-acetyloxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)ON2C(=O)C(C(C2=O)S(=O)(=O)O)O

DOS

IR

Vibrations