Geometry & MOs

Info

ID:

321310

PubChem CID:

126665757

Reduced:

F3O4N5H16C25 (1)

Stoich.:

A3B4C5D16E25 (1)

Weight, g/mol:

590.205337

ΔHf, kcal/mol:

-92.26

Dipole, Da:

2.83

IP(EA), eV:

 -9.5(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(3-carbamoylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations