Geometry & MOs

Info

ID:	425557
PubChem CID:	135126694
Reduced:	O4C41H80 (1)
Stoich.:	A4B41C80 (1)
Weight, g/mol:	123.054495
ΔH_f, kcal/mol:	-367.64
Dipole, Da:	1.89
IP(EA), eV:	-10.68(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(=O)OC(C)COC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations