Geometry & MOs

Info

ID:	47958
PubChem CID:	10536046
Reduced:	NOC5H10 (2)
Stoich.:	ABC5D10 (2)
Weight, g/mol:	200.019039
ΔH_f, kcal/mol:	-99.28
Dipole, Da:	6.09
IP(EA), eV:	-9.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione

Drug info:

PubChemData

Smile

CCC(=O)N(C)N(C)C(=O)CC(C)C

DOS

IR

Vibrations