Geometry & MOs

Info

ID:	432526
PubChem CID:	135172659
Reduced:	O3C11H14 (2)
Stoich.:	A3B11C14 (2)
Weight, g/mol:	666.413169
ΔH_f, kcal/mol:	-254.99
Dipole, Da:	5.46
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-(4-nonylcyclohexyl)phenyl]phenoxy]ethyl 3-hydroxy-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)OC(=O)C1=CC(=C(C=C1OC)OC)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations