Geometry & MOs

Info

ID:

180064

PubChem CID:

76570631

Reduced:

O2F4N4H26C31 (1)

Stoich.:

A2B4C4D26E31 (1)

Weight, g/mol:

422.167808

ΔHf, kcal/mol:

-162.33

Dipole, Da:

4.03

IP(EA), eV:

 -9.03(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]-5-phenyl-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(N=C2C(CNN2C1C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC4=CC=C(C=C4)F)C5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations