Geometry & MOs

Info

ID:	40052
PubChem CID:	8143493
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	309.09407
ΔH_f, kcal/mol:	37.72
Dipole, Da:	2.41
IP(EA), eV:	-8.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCCC3

DOS

IR

Vibrations