Geometry & MOs

Info

ID:	20579
PubChem CID:	584685
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	2.96
IP(EA), eV:	-9.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(4-methoxyphenyl)butane-1,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations