Geometry & MOs

Info

ID:

219645

PubChem CID:

85164244

Reduced:

O3C36H52 (1)

Stoich.:

A3B36C52 (1)

Weight, g/mol:

499.161759

ΔHf, kcal/mol:

-184.12

Dipole, Da:

3.05

IP(EA), eV:

 -9.51(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

18-ethyl-18-hydroxy-2-(pyridazin-1-ium-1-ylmethyl)-6,9,20-trioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17(22)-heptaene-19,23-dione

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CC(=O)C2=C3CCC4C(C(CCC4(C3CCC12C)C)OC(=O)C5=CC=CC=C5)(C)C

DOS

IR

Vibrations