Geometry & MOs

Info

ID:	68081
PubChem CID:	46507723
Reduced:	SO2N3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	270.122909
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	7.85
IP(EA), eV:	-8.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C2=NNC(=S)C=C2

DOS

IR

Vibrations