Geometry & MOs

Info

ID:	161022
PubChem CID:	57390545
Reduced:	O2Cl3N4H21C23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	460.222289
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	1.74
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxy-1,5-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CC2=C3C(=CC(=O)N2C1)NN(C3=O)C4=CC=CC=C4Cl)CC5=CC=C(C=C5)Cl.Cl

DOS

IR

Vibrations