Geometry & MOs

Info

ID:	351193
PubChem CID:	127279751
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	7.2
IP(EA), eV:	-9.54(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NC(C3=CC=CC=C3)C4=CN=CC=C4

DOS

IR

Vibrations