Geometry & MOs

Info

ID:	321548
PubChem CID:	126666568
Reduced:	FN4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	20.62
Dipole, Da:	3.74
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-cyano-4-[[(2R,4R)-2-methyloxan-4-yl]amino]quinolin-3-yl]-2-(5-methoxypyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1NC2=C3C=C(C=CC3=NC=C2N)C#N)F

DOS

IR

Vibrations