Geometry & MOs

Info

ID:	303874
PubChem CID:	124490529
Reduced:	BrON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	29.88
Dipole, Da:	2.95
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-1,2,6-trimethylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H](C(=O)CN1C2=CC=C(C=C2)Br)C#N

DOS

IR

Vibrations