Geometry & MOs

Info

ID:

321356

PubChem CID:

126665859

Reduced:

F3O3N6H23C29 (1)

Stoich.:

A3B3C6D23E29 (1)

Weight, g/mol:

560.178373

ΔHf, kcal/mol:

-24.3

Dipole, Da:

5.27

IP(EA), eV:

 -9.25(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)C#N)C(F)(F)F

DOS

IR

Vibrations