Geometry & MOs

Info

ID:

298075

PubChem CID:

117647450

Reduced:

OF2N9C23H23 (1)

Stoich.:

AB2C9D23E23 (1)

Weight, g/mol:

490.260486

ΔHf, kcal/mol:

11.16

Dipole, Da:

7.08

IP(EA), eV:

 -8.86(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)N[C@H](C3=CC=C(C=C3)F)[C@H](C)N)N4N=CC=N4

DOS

IR

Vibrations