Geometry & MOs

Info

ID:	427835
PubChem CID:	135164059
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	620.278546
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	1.45
IP(EA), eV:	-8.65(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-ethyl-4-(3-fluoro-4-hexylphenyl)phenyl]-5-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations