Geometry & MOs

Info

ID:	348572
PubChem CID:	127273683
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	308.196074
ΔH_f, kcal/mol:	-93.62
Dipole, Da:	10.21
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations