Geometry & MOs

Info

ID:	287492
PubChem CID:	104245032
Reduced:	BrN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	2.47
IP(EA), eV:	-9.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-cyclopentylethanol

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)CC2=NC(=NO2)CC3=CC=CC=C3Br

DOS

IR

Vibrations