Geometry & MOs

Info

ID:

325181

PubChem CID:

126681813

Reduced:

F3N4O4C25H29 (1)

Stoich.:

A3B4C4D25E29 (1)

Weight, g/mol:

582.311853

ΔHf, kcal/mol:

-286.17

Dipole, Da:

5.38

IP(EA), eV:

 -9.41(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(3-methylbutanoylamino)-1-pyridin-3-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(F)(F)F)C2=CC3=C(C=C2)C=CN=C3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations