Geometry & MOs

Info

ID:

181344

PubChem CID:

76732558

Reduced:

ClFO3N4H34C35 (1)

Stoich.:

ABC3D4E34F35 (1)

Weight, g/mol:

492.156433

ΔHf, kcal/mol:

-49.12

Dipole, Da:

5.33

IP(EA), eV:

 -8.71(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-[(3-methoxyphenoxy)methyl]-5-(pyridin-4-ylmethyl)-3a,4,7,7a-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

CN(CC1C2C(CC(=O)N1CC3=CC=C(C=C3)Cl)NN(C2=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)CC6=CC(=CC=C6)F

DOS

IR

Vibrations