Geometry & MOs

Info

ID:	40794
PubChem CID:	8144706
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	305.143607
ΔH_f, kcal/mol:	33.71
Dipole, Da:	3.44
IP(EA), eV:	-8.42(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-4-(2-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=NN(C2=S)CN3CCOCC3

DOS

IR

Vibrations