Geometry & MOs

Info

ID:	152381
PubChem CID:	56311296
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-56.4
Dipole, Da:	3.7
IP(EA), eV:	-8.71(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CCC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations