Geometry & MOs

Info

ID:

321290

PubChem CID:

126665677

Reduced:

F3O3N5H30C31 (1)

Stoich.:

A3B3C5D30E31 (1)

Weight, g/mol:

558.144566

ΔHf, kcal/mol:

-158.74

Dipole, Da:

10.29

IP(EA), eV:

 -9.04(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)O)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations