Geometry & MOs

Info

ID:	138314
PubChem CID:	52345744
Reduced:	ClON3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	307.14514
ΔH_f, kcal/mol:	28.2
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.842603
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-chlorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)C[NH+](C)[C@@H](C)C2=CC=CC=C2Cl

DOS

IR

Vibrations