Geometry & MOs

Info

ID:	431190
PubChem CID:	135171260
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	3.02
Dipole, Da:	2.61
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-2-phenylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=CC=CC=C3O2)C(=O)C4=CC5=C(N4)C=CC=N5

DOS

IR

Vibrations