Geometry & MOs

Info

ID:

181339

PubChem CID:

76732479

Reduced:

O2N3C18H20 (2)

Stoich.:

A2B3C18D20 (2)

Weight, g/mol:

479.128621

ΔHf, kcal/mol:

-73.58

Dipole, Da:

7.94

IP(EA), eV:

 -8.58(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-(6-chlorocyclohexa-2,4-dien-1-yl)-4-[(4-fluorophenoxy)methyl]-5-(pyridin-3-ylmethyl)-1,3a-dihydropyrazolo[4,3-c]pyridin-5-ium-3,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(C(=O)N2CCC3(CC2)C(=O)N(CN3C4=CC=CC=C4)CC5=CC=CC=C5)NC(=O)CCC6=CN=CN6

DOS

IR

Vibrations