Geometry & MOs

Info

ID:	215903
PubChem CID:	85085417
Reduced:	OH5N5C8 (1)
Stoich.:	AB5C5D8 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	110.27
Dipole, Da:	3.6
IP(EA), eV:	-9.77(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-hydroxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

C1=CN=CN=C1C=C2C(=O)N=NC=N2

DOS

IR

Vibrations