Geometry & MOs

Info

ID:	21677
PubChem CID:	589495
Reduced:	O2N4H6C9 (1)
Stoich.:	A2B4C6D9 (1)
Weight, g/mol:	202.049075
ΔH_f, kcal/mol:	78.58
Dipole, Da:	3.63
IP(EA), eV:	-9.64(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3H-[1,2,5]oxadiazolo[3,4-h][1,6]naphthyridin-6-one

Drug info:

PubChemData

Smile

CC1=C2C(=O)C=CN=C2C3=NONC3=N1

DOS

IR

Vibrations