Geometry & MOs

Info

ID:	121756
PubChem CID:	50780442
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	451.177503
ΔH_f, kcal/mol:	47.26
Dipole, Da:	1.5
IP(EA), eV:	-8.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)C3=CC=C(C=C3)N4CCN(CC4)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations