Geometry & MOs

Info

ID:	40311
PubChem CID:	8143910
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	275.133043
ΔH_f, kcal/mol:	20.7
Dipole, Da:	2.63
IP(EA), eV:	-8.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)CN4CCCC4

DOS

IR

Vibrations