Geometry & MOs

Info

ID:	392262
PubChem CID:	135013984
Reduced:	O4N5C26H31 (1)
Stoich.:	A4B5C26D31 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-116.17
Dipole, Da:	8.82
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-6-oxo-2-phenylpiperidin-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1CNCC3=NC4=CC=CC=C4N3C(=O)OC(C)(C)C

DOS

IR

Vibrations