Geometry & MOs

Info

ID:	424089
PubChem CID:	135121294
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	396.146537
ΔH_f, kcal/mol:	28.4
Dipole, Da:	7.74
IP(EA), eV:	-8.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C2=CC(=NC3=C2C=CN=C3C4CCNN4)N5CCOCC5

DOS

IR

Vibrations