Geometry & MOs

Info

ID:	277971
PubChem CID:	103832295
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	20.77
Dipole, Da:	1.77
IP(EA), eV:	-9.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations