Geometry & MOs

Info

ID:

376546

PubChem CID:

134222564

Reduced:

FO4N11H22C24 (1)

Stoich.:

AB4C11D22E24 (1)

Weight, g/mol:

454.199189

ΔHf, kcal/mol:

-41.63

Dipole, Da:

8.08

IP(EA), eV:

 -9.36(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(2-methoxyethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C1C(CN(C1C(NC2=NC(=O)C3=C(N2)N=CN3)O)C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations