Geometry & MOs

Info

ID:	40792
PubChem CID:	8144704
Reduced:	FO2N4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	291.127957
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	9.33
IP(EA), eV:	-9.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC=C(C=C1)F)/CC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations