Geometry & MOs

Info

ID:	40542
PubChem CID:	8144302
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	324.08116
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	7.47
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)CC1=NC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations