Geometry & MOs

Info

ID:	24034
PubChem CID:	607496
Reduced:	SO2N5C8H9 (1)
Stoich.:	AB2C5D8E9 (1)
Weight, g/mol:	239.047696
ΔH_f, kcal/mol:	81.71
Dipole, Da:	4.17
IP(EA), eV:	-9.35(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2-propylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCSC1=NN2C=C(C=NC2=N1)[N+](=O)[O-]

DOS

IR

Vibrations