Geometry & MOs

Info

ID:	40724
PubChem CID:	8144591
Reduced:	ClO4N5H14C16 (1)
Stoich.:	AB4C5D14E16 (1)
Weight, g/mol:	355.02282
ΔH_f, kcal/mol:	-8.67
Dipole, Da:	11.52
IP(EA), eV:	-9.72(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(2-bromophenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations