Geometry & MOs

Info

ID:	40272
PubChem CID:	8143851
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	289.148693
ΔH_f, kcal/mol:	14.86
Dipole, Da:	4.59
IP(EA), eV:	-8.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-5-(2-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations