Geometry & MOs

Info

ID:	288718
PubChem CID:	104324281
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	49.71
Dipole, Da:	3.78
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)[C@H](CC2=CNC3=CC=CC=C32)N

DOS

IR

Vibrations