Geometry & MOs

Info

ID:	121757
PubChem CID:	50780443
Reduced:	ClO2N5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	481.11134
ΔH_f, kcal/mol:	23.24
Dipole, Da:	4.36
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=NOC(=N4)C5CCC5

DOS

IR

Vibrations