Geometry & MOs

Info

ID:	212795
PubChem CID:	81061861
Reduced:	ClN2O3C9H17 (1)
Stoich.:	AB2C3D9E17 (1)
Weight, g/mol:	244.135782
ΔH_f, kcal/mol:	-147.34
Dipole, Da:	7.27
IP(EA), eV:	-9.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)NC(=O)CCl

DOS

IR

Vibrations