Geometry & MOs

Info

ID:	277970
PubChem CID:	103832293
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	33.58
Dipole, Da:	2.9
IP(EA), eV:	-9.31(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)[C@H]3CCCN3

DOS

IR

Vibrations