Geometry & MOs

Info

ID:	407373
PubChem CID:	135079951
Reduced:	OH11C12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	4.33
Dipole, Da:	4.85
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2,3,4-trimethylhex-4-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C(CC(=C)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations