Geometry & MOs

Info

ID:	40657
PubChem CID:	8144482
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	379.135935
ΔH_f, kcal/mol:	-144.58
Dipole, Da:	4.71
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(2-chlorophenyl)-4-cyclopentyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CN3CCOCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations