Geometry & MOs

Info

ID:	280921
PubChem CID:	103851965
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	255.057468
ΔH_f, kcal/mol:	-29.22
Dipole, Da:	1.21
IP(EA), eV:	-8.96(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCC2(CCOCC2)C

DOS

IR

Vibrations