Geometry & MOs

Info

ID:	14767
PubChem CID:	419906
Reduced:	ON5C7H9 (1)
Stoich.:	AB5C7D9 (1)
Weight, g/mol:	179.08071
ΔH_f, kcal/mol:	63.14
Dipole, Da:	3.69
IP(EA), eV:	-10.55(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propyl-1,4a-dihydroimidazo[4,5-d]triazin-4-one

Drug info:

PubChemData

Smile

CCCC1=NC2C(=N1)NN=NC2=O

DOS

IR

Vibrations