Geometry & MOs

Info

ID:	40126
PubChem CID:	8143604
Reduced:	SN4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	234.093918
ΔH_f, kcal/mol:	100.03
Dipole, Da:	10.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.856292
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-thione

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C(=S)N3C=CC=CC3=N2

DOS

IR

Vibrations