Geometry & MOs

Info

ID:	377126
PubChem CID:	134223164
Reduced:	O7C18H18 (2)
Stoich.:	A7B18C18 (2)
Weight, g/mol:	590.215197
ΔH_f, kcal/mol:	-442.51
Dipole, Da:	4.08
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-propanoyloxypropoxy)benzoate

Drug info:

PubChemData

Smile

C=CC(=O)COC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCOC(=O)C=C)OCOC(=O)C=C)OCC(=O)C=C

DOS

IR

Vibrations