Geometry & MOs

Info

ID:	138313
PubChem CID:	52345743
Reduced:	ClN5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	308.152965
ΔH_f, kcal/mol:	105.67
Dipole, Da:	7.26
IP(EA), eV:	-9.63(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)N(C)CC2=NN=NN2C3CC3

DOS

IR

Vibrations