Geometry & MOs

Info

ID:	174659
PubChem CID:	75802767
Reduced:	ClO2N4C26H33 (1)
Stoich.:	AB2C4D26E33 (1)
Weight, g/mol:	474.211685
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	4.16
IP(EA), eV:	-8.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-4-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations