Geometry & MOs

Info

ID:	26686
PubChem CID:	794610
Reduced:	ClO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	229.98167
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	4.5
IP(EA), eV:	-8.95(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-bromoethyl)pyridin-1-ium-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)N[C@@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations