Geometry & MOs

Info

ID:	303534
PubChem CID:	124489871
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	-114.98
Dipole, Da:	5.34
IP(EA), eV:	-9.05(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Br)N)C(=O)O

DOS

IR

Vibrations