Geometry & MOs

Info

ID:	304327
PubChem CID:	124526341
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-3.53
Dipole, Da:	3.37
IP(EA), eV:	-8.19(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-ethyl 6-O-methyl (2S,6S)-1-benzoyl-3-oxopiperidine-2,6-dicarboxylate

Drug info:

PubChemData

Smile

C1CCN2CCC[C@@H]3[C@]2(C1)OC4=C(C3)C5=CC=CC=C5C=C4

DOS

IR

Vibrations