Geometry & MOs

Info

ID:	20298
PubChem CID:	582993
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-111.63
Dipole, Da:	3.34
IP(EA), eV:	-9.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-diethyl-3-oxo-5-phenylpent-4-enoate

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)C=CC1=CC=CC=C1)C(=O)OCC

DOS

IR

Vibrations