Geometry & MOs

Info

ID:	432467
PubChem CID:	135172600
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	642.244053
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	2.47
IP(EA), eV:	-8.82(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-ethyl-4-[4-(5,5,5-trifluoropentyl)phenyl]phenyl]-2-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(CCC(C)(C2=CC=C(O2)C)C3=CC=C(O3)C)O

DOS

IR

Vibrations