Geometry & MOs

Info

ID:	85184
PubChem CID:	49872242
Reduced:	FN7H14C20 (1)
Stoich.:	AB7C14D20 (1)
Weight, g/mol:	456.182235
ΔH_f, kcal/mol:	102.62
Dipole, Da:	3.93
IP(EA), eV:	-9.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[1-[6-fluoro-4-(3-hydroxyazetidin-1-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=C(N=C3C=CC=C(C3=C2)F)CNC4=NC=NC(=C4C#N)N

DOS

IR

Vibrations