Geometry & MOs

Info

ID:	424087
PubChem CID:	135121287
Reduced:	ON6C24H24 (1)
Stoich.:	AB6C24D24 (1)
Weight, g/mol:	380.176087
ΔH_f, kcal/mol:	93.2
Dipole, Da:	5.8
IP(EA), eV:	-8.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-fluoropyridin-3-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C1CNNC1C2=NC=CC3=C2N=C(C=C3C4=CC5=CC=CC=C5N=C4)N6CCOCC6

DOS

IR

Vibrations