Geometry & MOs

Info

ID:	432404
PubChem CID:	135172537
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	606.319268
ΔH_f, kcal/mol:	-118.67
Dipole, Da:	2.35
IP(EA), eV:	-8.84(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(hydroxymethyl)prop-2-enoyloxymethoxy]-5-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]phenoxy]methyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations