Geometry & MOs

Info

ID:	250435
PubChem CID:	103096580
Reduced:	BrN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	5.33
IP(EA), eV:	-9.81(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(C=C(C=C2)C)Br)O

DOS

IR

Vibrations