Geometry & MOs

Info

ID:

395775

PubChem CID:

135026491

Reduced:

ClN2O5H23C24 (1)

Stoich.:

AB2C5D23E24 (1)

Weight, g/mol:

581.389575

ΔHf, kcal/mol:

-44.37

Dipole, Da:

3.78

IP(EA), eV:

 -8.85(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4S,5S)-4,5-diphenyl-1-[(5S)-5-propan-2-yl-2-(2,4,6-trimethylphenyl)cyclohexa-1,3-dien-1-yl]-3-(2,4,6-trimethylphenyl)imidazolidin-1-ium

Drug info:

PubChemData

Smile

C1C(COCO1)(/C=C/C2=CC(=C(C=C2)OCCCC#N)/C=C/C3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations