Geometry & MOs

Info

ID:	272529
PubChem CID:	103744578
Reduced:	OCl2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	287.107005
ΔH_f, kcal/mol:	31.08
Dipole, Da:	3.69
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CNCCC2=NC=NO2)Cl

DOS

IR

Vibrations