Geometry & MOs

Info

ID:	14439
PubChem CID:	411381
Reduced:	SN6C7H10 (1)
Stoich.:	AB6C7D10 (1)
Weight, g/mol:	210.068766
ΔH_f, kcal/mol:	122.16
Dipole, Da:	9.33
IP(EA), eV:	-9.7(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-propylsulfanyl-7aH-triazolo[4,5-d]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CCCSC1=NC(=NC2=NN=NC21)N

DOS

IR

Vibrations