Geometry & MOs

Info

ID:

321297

PubChem CID:

126665705

Reduced:

O2F3N5H24C29 (1)

Stoich.:

A2B3C5D24E29 (1)

Weight, g/mol:

551.244501

ΔHf, kcal/mol:

-73.7

Dipole, Da:

7.72

IP(EA), eV:

 -9.26(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-N-[5-[1-amino-1-(4-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-[3-(aminomethyl)phenyl]pyrazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)(C5=CC=CC=N5)O

DOS

IR

Vibrations