Geometry & MOs

Info

ID:	303533
PubChem CID:	124489870
Reduced:	BrN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	5.24
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-amino-5-bromobenzoyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)N

DOS

IR

Vibrations