Geometry & MOs

Info

ID:	224736
PubChem CID:	85349109
Reduced:	O5C12H14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	238.229666
ΔH_f, kcal/mol:	-178.39
Dipole, Da:	1.28
IP(EA), eV:	-8.57(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-5-methyl-6-propyldec-6-en-3-one

Drug info:

PubChemData

Smile

CC(=O)OCC1COC2=C(O1)C(=CC=C2)OC

DOS

IR

Vibrations