Geometry & MOs

Info

ID:	290488
PubChem CID:	104633180
Reduced:	ClO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	354.04915
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	1.21
IP(EA), eV:	-9.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=NC(=NO2)C(CO)N)Cl

DOS

IR

Vibrations