Geometry & MOs

Info

ID:	425416
PubChem CID:	135126265
Reduced:	OSF4N4H16C21 (1)
Stoich.:	ABC4D4E16F21 (1)
Weight, g/mol:	400.085767
ΔH_f, kcal/mol:	-105.15
Dipole, Da:	3.63
IP(EA), eV:	-9.55(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,6-dichloropyridin-4-yl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](OC[C@@]2(N=C(S1)N)C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)C#N)\F)F)C(F)F

DOS

IR

Vibrations