Geometry & MOs

Info

ID:	201914
PubChem CID:	79604422
Reduced:	Br2N2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	198.100442
ΔH_f, kcal/mol:	21.46
Dipole, Da:	7.39
IP(EA), eV:	-8.19(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)CNC2=C(C=C(C=C2)Br)Br)C

DOS

IR

Vibrations