Geometry & MOs

Info

ID:

321355

PubChem CID:

126665857

Reduced:

O2F4N5H25C29 (1)

Stoich.:

A2B4C5D25E29 (1)

Weight, g/mol:

560.178373

ΔHf, kcal/mol:

-148.38

Dipole, Da:

7.54

IP(EA), eV:

 -9.45(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[[cyclopropyl(methyl)amino]-(4-nitrophenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=CC=C2)C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)C(=O)N)C(F)(F)F

DOS

IR

Vibrations