Geometry & MOs

Info

ID:	19730
PubChem CID:	571463
Reduced:	O9C29H34 (1)
Stoich.:	A9B29C34 (1)
Weight, g/mol:	526.220283
ΔH_f, kcal/mol:	-347.29
Dipole, Da:	4.32
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2,4-bis(2-ethoxy-2-oxoethyl)-6-oxocyclohexyl]-2,4-dimethoxyphenyl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CC(C(C(=O)C1)C2=CC(=C(C=C2OC)OC)OC(=O)C3=CC=CC=C3)CC(=O)OCC

DOS

IR

Vibrations