Geometry & MOs

Info

ID:	186088
PubChem CID:	77389627
Reduced:	O7C20H24 (1)
Stoich.:	A7B20C24 (1)
Weight, g/mol:	474.241767
ΔH_f, kcal/mol:	-255.26
Dipole, Da:	3.7
IP(EA), eV:	-9.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[4-(3-ethoxy-3-oxoprop-1-enyl)-3-fluorophenyl] 4-O-(4-pentylcyclohexyl) 2-methylidenebutanedioate

Drug info:

PubChemData

Smile

CCCOC(=O)CC(=C)C(=O)OC1=C(C=C(C=C1)C=CC(=O)OCC)OC

DOS

IR

Vibrations