Geometry & MOs

Info

ID:	189230
PubChem CID:	77830190
Reduced:	N2O5C15H20 (1)
Stoich.:	A2B5C15D20 (1)
Weight, g/mol:	457.1849
ΔH_f, kcal/mol:	-202.3
Dipole, Da:	6.57
IP(EA), eV:	-9.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(6-ethoxy-7-methyl-1,8-naphthyridin-4-yl)amino]phenoxy]-6-(hydroxymethyl)oxane-2,4,5-triol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CC(=O)O)(C(=O)CCC(C(=O)O)N)N

DOS

IR

Vibrations