Geometry & MOs

Info

ID:	424078
PubChem CID:	135121217
Reduced:	ON6C22H26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	394.191738
ΔH_f, kcal/mol:	55.49
Dipole, Da:	7.69
IP(EA), eV:	-8.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[4-(2-fluoropyridin-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=CN=C(C=C5)C

DOS

IR

Vibrations