Geometry & MOs

Info

ID:	283412
PubChem CID:	103979749
Reduced:	ClNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	336.01095
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	5.03
IP(EA), eV:	-9.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(C1)C(=O)O)C2=NC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations