Geometry & MOs

Info

ID:	124856
PubChem CID:	50899988
Reduced:	N3O8H23C30 (1)
Stoich.:	A3B8C23D30 (1)
Weight, g/mol:	377.183838
ΔH_f, kcal/mol:	-190.02
Dipole, Da:	6.76
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(2-hydroxy-6-methoxy-4,6-dioxohexyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@@]45C6=CC=CC=C6N([C@]4(O3)O[C@@H]7N=C([C@@H](O7)O5)C8=CC=C(C=C8)OC)C(=O)C

DOS

IR

Vibrations