Geometry & MOs

Info

ID:	126341
PubChem CID:	50960225
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	265.132746
ΔH_f, kcal/mol:	-128.66
Dipole, Da:	5.72
IP(EA), eV:	-9.44(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CC1=NC2=C(N1)CC(CNC2=O)(C)C

DOS

IR

Vibrations