Geometry & MOs

Info

ID:	20403
PubChem CID:	583750
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-35.37
Dipole, Da:	3.76
IP(EA), eV:	-9.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations