Geometry & MOs

Info

ID:	424091
PubChem CID:	135121299
Reduced:	O4N6C29H34 (1)
Stoich.:	A4B6C29D34 (1)
Weight, g/mol:	447.238273
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	10.62
IP(EA), eV:	-8.41(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C=C1C3=CC(=NC4=C3C=CN=C4C5CCNN5)N6CCOCC6

DOS

IR

Vibrations