Geometry & MOs

Info

ID:

298079

PubChem CID:

117647458

Reduced:

FON8C24H31 (1)

Stoich.:

ABC8D24E31 (1)

Weight, g/mol:

480.250984

ΔHf, kcal/mol:

-16.13

Dipole, Da:

7.76

IP(EA), eV:

 -8.06(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(2S)-1-amino-3-pyrazol-1-ylpropan-2-yl]amino]-2-[[3-(dimethylamino)-1-ethylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC3=NC(=C(C=C3C(=O)N)F)N[C@@H]4CCCC[C@@H]4N)C(=N1)N5CCCC5

DOS

IR

Vibrations