Geometry & MOs

Info

ID:

437561

PubChem CID:

135226549

Reduced:

N3O6C32H45 (1)

Stoich.:

A3B6C32D45 (1)

Weight, g/mol:

617.346486

ΔHf, kcal/mol:

-189.23

Dipole, Da:

9.17

IP(EA), eV:

 -9.18(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[2-[(1-benzyltriazol-4-yl)methoxy]ethoxy]ethoxy]-2-hydroxy-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)CC=C

DOS

IR

Vibrations