Geometry & MOs

Info

ID:	124234
PubChem CID:	50876017
Reduced:	ON4C8H14 (1)
Stoich.:	AB4C8D14 (1)
Weight, g/mol:	154.049075
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	9.45
IP(EA), eV:	-9.51(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-8,8a-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)NNC(C)C

DOS

IR

Vibrations