Geometry & MOs

Info

ID:	197123
PubChem CID:	78925326
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-96.58
Dipole, Da:	5.71
IP(EA), eV:	-9.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-propan-2-yloxybenzoyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations