Geometry & MOs

Info

ID:	40757
PubChem CID:	8144653
Reduced:	OS2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	380.107375
ΔH_f, kcal/mol:	36.23
Dipole, Da:	4.17
IP(EA), eV:	-8.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCOCC2)CC3=CC=CS3

DOS

IR

Vibrations