Geometry & MOs

Info

ID:	121753
PubChem CID:	50780288
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-22.01
Dipole, Da:	2.13
IP(EA), eV:	-8.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=NOC(=N4)C5CC5

DOS

IR

Vibrations