Geometry & MOs

Info

ID:	12293
PubChem CID:	134229
Reduced:	BrON2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	227.98983
ΔH_f, kcal/mol:	-15.66
Dipole, Da:	4.53
IP(EA), eV:	-10.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NCCBr

DOS

IR

Vibrations