Geometry & MOs

Info

ID:	23699
PubChem CID:	605414
Reduced:	ON4C9H10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	190.085461
ΔH_f, kcal/mol:	28.5
Dipole, Da:	1.83
IP(EA), eV:	-9.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=O)N3C(=N2)N=CN3

DOS

IR

Vibrations