Geometry & MOs

Info

ID:	40559
PubChem CID:	8144329
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	368.03064
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	2.52
IP(EA), eV:	-9.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)N(C(=O)N1)CN2CCOCC2

DOS

IR

Vibrations