Geometry & MOs

Info

ID:

297969

PubChem CID:

117644126

Reduced:

FO2N9C24H28 (1)

Stoich.:

AB2C9D24E28 (1)

Weight, g/mol:

454.260486

ΔHf, kcal/mol:

2.6

Dipole, Da:

10.5

IP(EA), eV:

 -8.82(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(1R,2S)-2-amino-1-cyclobutylpropyl]amino]-2-[[3-(dimethylamino)-1-methylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C#N)F)N[C@H](C3CCCCC3)[C@H](C)NC(=O)O)N4N=CC=N4

DOS

IR

Vibrations