Geometry & MOs

Info

ID:	259000
PubChem CID:	103157890
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	299.083683
ΔH_f, kcal/mol:	4.71
Dipole, Da:	2.93
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=CC=C1)C2=NOC(=N2)CC(CN)OC

DOS

IR

Vibrations