Geometry & MOs

Info

ID:

179217

PubChem CID:

76452448

Reduced:

F2N3O5C30H31 (1)

Stoich.:

A2B3C5D30E31 (1)

Weight, g/mol:

490.285638

ΔHf, kcal/mol:

-224.38

Dipole, Da:

4.95

IP(EA), eV:

 -8.52(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]-3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CCC(=O)OC)OC)C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations