Geometry & MOs

Info

ID:

181343

PubChem CID:

76732557

Reduced:

ClN3O5C24H28 (1)

Stoich.:

AB3C5D24E28 (1)

Weight, g/mol:

612.230347

ΔHf, kcal/mol:

-140.58

Dipole, Da:

3.15

IP(EA), eV:

 -9.05(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-4-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-(4-phenylmethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

COCCN1C(C2C(CC1=O)NN(C2=O)C3=CC=CC=C3Cl)COCC4=CC(=CC=C4)OC

DOS

IR

Vibrations