Geometry & MOs

Info

ID:	40232
PubChem CID:	8143784
Reduced:	ClSN4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	315.164343
ΔH_f, kcal/mol:	87.25
Dipole, Da:	2.4
IP(EA), eV:	-8.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-benzyl-5-cyclopropyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations