Geometry & MOs

Info

ID:	424077
PubChem CID:	135121215
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	26.94
Dipole, Da:	7.06
IP(EA), eV:	-8.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-4-[4-(6-methylpyridin-3-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CC(=NC3=C2C=CN=C3C4CCNN4)N5CCOCC5

DOS

IR

Vibrations