Geometry & MOs

Info

ID:	303541
PubChem CID:	124489878
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	1.33
Dipole, Da:	5.3
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-(2-amino-5-bromobenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1C(=O)C3=C(C=CC(=C3)Br)N

DOS

IR

Vibrations