Geometry & MOs

Info

ID:	186240
PubChem CID:	77409019
Reduced:	O7C29H32 (1)
Stoich.:	A7B29C32 (1)
Weight, g/mol:	520.246104
ΔH_f, kcal/mol:	-243.34
Dipole, Da:	6.65
IP(EA), eV:	-9.19(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl] 4-[8-(4-methylidene-5-oxooxolan-2-yl)octoxy]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCC3CC(=C)C(=O)O3

DOS

IR

Vibrations