Geometry & MOs

Info

ID:	12979
PubChem CID:	219459
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	2.44
IP(EA), eV:	-9.51(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxo-2-(2-phenylethyl)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)C(=O)C

DOS

IR

Vibrations