Geometry & MOs

Info

ID:	254270
PubChem CID:	103123850
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	242.058595
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	6.4
IP(EA), eV:	-9.09(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(1-methylpyrazol-3-yl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCC(C)N1C(=C(N=N1)C(=O)OC)C2CCNCC2

DOS

IR

Vibrations