Geometry & MOs

Info

ID:	259010
PubChem CID:	103157940
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	4.81
IP(EA), eV:	-8.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NCC(CC2CCCC2)O)Br

DOS

IR

Vibrations