Geometry & MOs

Info

ID:	40738
PubChem CID:	8144619
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	347.154172
ΔH_f, kcal/mol:	-1.5
Dipole, Da:	3.43
IP(EA), eV:	-8.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(2-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCOCC2)C3=CC=CC=C3OC

DOS

IR

Vibrations