Geometry & MOs

Info

ID:	424079
PubChem CID:	135121218
Reduced:	FON6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	408.207388
ΔH_f, kcal/mol:	21.71
Dipole, Da:	5.62
IP(EA), eV:	-8.54(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[4-(2-fluoro-4-methylpyridin-3-yl)-8-pyrazolidin-3-yl-1,7-naphthyridin-2-yl]-3-methylmorpholine

Drug info:

PubChemData

Smile

C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4CCNN4)C(=C2)C5=C(N=CC=C5)F

DOS

IR

Vibrations