Geometry & MOs

Info

ID:

378486

PubChem CID:

134224570

Reduced:

O2F5N5C21H24 (1)

Stoich.:

A2B5C5D21E24 (1)

Weight, g/mol:

910.374055

ΔHf, kcal/mol:

-287.27

Dipole, Da:

6.39

IP(EA), eV:

 -9.56(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-[1-[[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-hydroxymethyl]-4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-3-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC(N1CCC2=C(C1)NN=C2C(=O)N3CCC(CC3)C4=C(C(=CC(=C4)F)F)C(F)(F)F)O

DOS

IR

Vibrations