Geometry & MOs

Info

ID:	324802
PubChem CID:	126678374
Reduced:	BrNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	339.01062
ΔH_f, kcal/mol:	-148.83
Dipole, Da:	0.67
IP(EA), eV:	-9.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4R)-4-(4-bromophenyl)-2,6-dioxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)CO)C2=CC=C(C=C2)Br

DOS

IR

Vibrations