Geometry & MOs

Info

ID:

321341

PubChem CID:

126665838

Reduced:

F3O3N7H28C30 (1)

Stoich.:

A3B3C7D28E30 (1)

Weight, g/mol:

554.194103

ΔHf, kcal/mol:

-115.52

Dipole, Da:

6.25

IP(EA), eV:

 -9.65(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=CC=CC=C4)N=[N+]=[N-]

DOS

IR

Vibrations