Geometry & MOs

Info

ID:	341821
PubChem CID:	127264514
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	258.89665
ΔH_f, kcal/mol:	-181.98
Dipole, Da:	1.68
IP(EA), eV:	-8.89(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(chloromethyl)-5-fluoropyridine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations