Geometry & MOs

Info

ID:	40011
PubChem CID:	8143411
Reduced:	SN5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	367.135935
ΔH_f, kcal/mol:	89.96
Dipole, Da:	2.03
IP(EA), eV:	-8.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations