Geometry & MOs

Info

ID:

378600

PubChem CID:

134224692

Reduced:

N3O9C37H43 (1)

Stoich.:

A3B9C37D43 (1)

Weight, g/mol:

486.241802

ΔHf, kcal/mol:

-282.75

Dipole, Da:

6.58

IP(EA), eV:

 -8.65(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(2,2-dimethylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1C2=C(CCO1)C(=CC3=C2OCO3)N(C[C@H]4C5=C(CCO4)C=CC6=C5OCCO6)C7COC8=C(O7)C=CC9=C8[C@H](OCC9)CNC)N

DOS

IR

Vibrations