Geometry & MOs

Info

ID:

297986

PubChem CID:

117644534

Reduced:

F3O3N7H24C25 (1)

Stoich.:

A3B3C7D24E25 (1)

Weight, g/mol:

427.213201

ΔHf, kcal/mol:

-143.26

Dipole, Da:

6.74

IP(EA), eV:

 -8.54(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(1R,2S)-2-amino-1-cyclopropylpropyl]amino]-5-fluoro-2-[(3-methoxy-1-methylindazol-4-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1=CC=CC=C1F)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)N4CCOCC4)F)C#N)F)NC(=O)O

DOS

IR

Vibrations