Geometry & MOs

Info

ID:	415497
PubChem CID:	135088493
Reduced:	ClN3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	3.91
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)N2CC[C@H](C2)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations