Geometry & MOs

Info

ID:	407471
PubChem CID:	135080187
Reduced:	OC8H12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	9.6
Dipole, Da:	1.79
IP(EA), eV:	-8.9(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-methyl-6-phenylmethoxyhex-3-en-2-one

Drug info:

PubChemData

Smile

C=CCCCOC=C=C

DOS

IR

Vibrations