Geometry & MOs

Info

ID:	2741
PubChem CID:	8432
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	1.94
IP(EA), eV:	-9.59(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylethyl propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations