Geometry & MOs

Info

ID:	351231
PubChem CID:	127279789
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	5.56
IP(EA), eV:	-9.34(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-4-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)CC3CC4CCC3C4

DOS

IR

Vibrations