Geometry & MOs

Info

ID:	156440
PubChem CID:	56370618
Reduced:	BrN2O2C19H29 (1)
Stoich.:	AB2C2D19E29 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-68.4
Dipole, Da:	2.48
IP(EA), eV:	-8.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethyl]morpholine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)CCN3CCOCC3

DOS

IR

Vibrations