Geometry & MOs

Info

ID:

325146

PubChem CID:

126681432

Reduced:

FO2N6H29C31 (1)

Stoich.:

AB2C6D29E31 (1)

Weight, g/mol:

582.311853

ΔHf, kcal/mol:

15.91

Dipole, Da:

6.3

IP(EA), eV:

 -8.48(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)N4C=CC=CC4=O)F)C5=CC6=C(C=C5)C=CN=C6N

DOS

IR

Vibrations