Geometry & MOs

Info

ID:	277981
PubChem CID:	103832412
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	299.124547
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	2.66
IP(EA), eV:	-9.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2-dimethyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=NC(=NO2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations