Geometry & MOs

Info

ID:	8270
PubChem CID:	75895
Reduced:	OH3C4N5 (1)
Stoich.:	AB3C4D5 (1)
Weight, g/mol:	137.03376
ΔH_f, kcal/mol:	80.81
Dipole, Da:	6.59
IP(EA), eV:	-10.1(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=NC(=O)C2=NNNC2=N1

DOS

IR

Vibrations