Geometry & MOs

Info

ID:	283413
PubChem CID:	103979784
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	5.77
IP(EA), eV:	-9.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(C1)C(=O)O)C2=NC(=NO2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations