Geometry & MOs

Info

ID:	22021
PubChem CID:	595348
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	3.83
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)dodec-1-en-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)C=CC1=CC=C(C=C1)OC

DOS

IR

Vibrations