Geometry & MOs

Info

ID:	9080
PubChem CID:	85853
Reduced:	O3C11H13 (2)
Stoich.:	A3B11C13 (2)
Weight, g/mol:	386.172939
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	6.77
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Drug info:

PubChemData

Smile

CCC(C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)OC)OC)OC)OC)C(=O)C

DOS

IR

Vibrations