Geometry & MOs

Info

ID:	170100
PubChem CID:	75197188
Reduced:	SO2N3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	272.138559
ΔH_f, kcal/mol:	0.43
Dipole, Da:	3.13
IP(EA), eV:	-9.07(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-methyl-4-[3-(4-methylphenyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]-1H-pyrazole-3,5-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C2C=CC(=S)N=N2

DOS

IR

Vibrations