Geometry & MOs

Info

ID:

321309

PubChem CID:

126665755

Reduced:

O3F4N6H34C35 (1)

Stoich.:

A3B4C6D34E35 (1)

Weight, g/mol:

507.115439

ΔHf, kcal/mol:

-185.46

Dipole, Da:

4.46

IP(EA), eV:

 -9.42(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[hydroxy-(3-nitrophenyl)methyl]phenyl]-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=C(C=CC(=C3)C(C4=CC=C(C=C4)C#N)N(C)C5CC5)F

DOS

IR

Vibrations