Geometry & MOs

Info

ID:	49309
PubChem CID:	11532779
Reduced:	OCl2N5C23H31 (1)
Stoich.:	AB2C5D23E31 (1)
Weight, g/mol:	464.20597
ΔH_f, kcal/mol:	-8.97
Dipole, Da:	7.77
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN2C(=CC(=N2)C(=O)NCCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)C1

DOS

IR

Vibrations