Geometry & MOs

Info

ID:	278032
PubChem CID:	103832868
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	267.118318
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	3.98
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations