Geometry & MOs

Info

ID:

437562

PubChem CID:

135226550

Reduced:

N3O6C36H47 (1)

Stoich.:

A3B6C36D47 (1)

Weight, g/mol:

629.367616

ΔHf, kcal/mol:

-176.23

Dipole, Da:

8.03

IP(EA), eV:

 -8.81(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-4-[2-[2-[[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)OCCOCCOCC3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations