Geometry & MOs

Info

ID:	8706
PubChem CID:	80451
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-113.79
Dipole, Da:	1.98
IP(EA), eV:	-10.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-4-phenylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)C1=CC=CC=C1

DOS

IR

Vibrations