Geometry & MOs

Info

ID:	151732
PubChem CID:	56269966
Reduced:	O2N7H15C18 (1)
Stoich.:	A2B7C15D18 (1)
Weight, g/mol:	486.133779
ΔH_f, kcal/mol:	52.0
Dipole, Da:	3.66
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichlorophenyl)-5-ethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CNC(=O)N1C2=CC=C(C=C2)C(=O)NC3=C(N=CC=C3)N4C=NC=N4

DOS

IR

Vibrations