Geometry & MOs

Info

ID:	297975
PubChem CID:	117644385
Reduced:	FON9C23H24 (1)
Stoich.:	ABC9D23E24 (1)
Weight, g/mol:	378.16158
ΔH_f, kcal/mol:	61.5
Dipole, Da:	4.39
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-6-methylpyridin-3-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)NC(CC3=CC=CC=C3)CN)N4N=CC=N4

DOS

IR

Vibrations