Geometry & MOs

Info

ID:	278029
PubChem CID:	103832855
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	27.55
Dipole, Da:	8.76
IP(EA), eV:	-10.16(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])N

DOS

IR

Vibrations