Geometry & MOs

Info

ID:	424093
PubChem CID:	135121301
Reduced:	ClON6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	426.157102
ΔH_f, kcal/mol:	58.09
Dipole, Da:	9.37
IP(EA), eV:	-8.43(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-chloro-2-methoxypyridin-3-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)Cl)C2=CC(=NC3=C2C=CN=C3C4CCNN4)N5CCOCC5

DOS

IR

Vibrations