Geometry & MOs

Info

ID:	432540
PubChem CID:	135172673
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	774.434298
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	5.2
IP(EA), eV:	-8.57(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-5-[2-[2-(hydroxymethoxymethyl)prop-2-enoyloxy]ethoxy]phenoxy]ethyl 3-(hydroxymethoxy)-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)NC(=O)C=C

DOS

IR

Vibrations