Geometry & MOs

Info

ID:	177070
PubChem CID:	76132275
Reduced:	SN3O3C28H33 (1)
Stoich.:	AB3C3D28E33 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	6.27
IP(EA), eV:	-8.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-(hydroxymethyl)-2,5-dimethyl-3H-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CCN1C(C(C(=O)N(C1=S)CC)C2=CCC3CCC(=CC3=C2)C=C4N(C5=CC=CC=C5O4)CC)O

DOS

IR

Vibrations