Geometry & MOs

Info

ID:	40544
PubChem CID:	8144306
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	398.165071
ΔH_f, kcal/mol:	23.07
Dipole, Da:	3.61
IP(EA), eV:	-8.34(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=NN(C2=S)CN3CCOCC3)C

DOS

IR

Vibrations