Geometry & MOs

Info

ID:	276703
PubChem CID:	103824743
Reduced:	BrClNO3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	288.01095
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	6.06
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC(CO1)C(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations