Geometry & MOs

Info

ID:	425504
PubChem CID:	135126562
Reduced:	ClOSN4F5H14C21 (1)
Stoich.:	ABCD4E5F14G21 (1)
Weight, g/mol:	351.149538
ΔH_f, kcal/mol:	-168.44
Dipole, Da:	2.88
IP(EA), eV:	-9.61(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-fluoropyridin-2-yl)azetidin-3-yl]-3,4-dimethylcinnoline-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=C(C=C(C=N4)C#N)Cl)\F)F)C(F)(F)F

DOS

IR

Vibrations