Geometry & MOs

Info

ID:	153068
PubChem CID:	56312193
Reduced:	SN3O6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-212.29
Dipole, Da:	5.78
IP(EA), eV:	-8.82(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC3=NC4=C(C(=C(S4)C(=O)OC)CC(=O)OC)C(=O)N3

DOS

IR

Vibrations