Geometry & MOs

Info

ID:	48268
PubChem CID:	10538495
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-160.47
Dipole, Da:	5.01
IP(EA), eV:	-10.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-6-(3,5-dimethoxyphenyl)hex-5-ene-2,4-dione

Drug info:

PubChemData

Smile

CCCCOC(=O)CC1C2=CC=CC=C2C(=O)O1

DOS

IR

Vibrations