Geometry & MOs

Info

ID:	40653
PubChem CID:	8144478
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	357.138522
ΔH_f, kcal/mol:	-144.66
Dipole, Da:	3.22
IP(EA), eV:	-8.98(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-benzyl-5-(furan-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN3CCOCC3

DOS

IR

Vibrations