Geometry & MOs

Info

ID:	377125
PubChem CID:	134223163
Reduced:	O7C18H18 (2)
Stoich.:	A7B18C18 (2)
Weight, g/mol:	692.210506
ΔH_f, kcal/mol:	-440.85
Dipole, Da:	4.57
IP(EA), eV:	-8.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3,4-bis(prop-2-enoyloxymethoxy)benzoyl]oxycyclohexyl] 3,4-bis(2-oxobut-3-enoxy)benzoate

Drug info:

PubChemData

Smile

C=CC(=O)COC1=C(C=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)OCOC(=O)C=C)OCOC(=O)C=C)OCC(=O)C=C

DOS

IR

Vibrations