Geometry & MOs

Info

ID:	152961
PubChem CID:	56312063
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	441.10519
ΔH_f, kcal/mol:	-34.76
Dipole, Da:	3.26
IP(EA), eV:	-8.46(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-5-[[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations