Geometry & MOs

Info

ID:	276681
PubChem CID:	103824692
Reduced:	BrClFN2O3H7C13 (1)
Stoich.:	ABCD2E3F7G13 (1)
Weight, g/mol:	327.94143
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	6.56
IP(EA), eV:	-9.45(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-6-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)Br)Cl)[N+](=O)[O-])F

DOS

IR

Vibrations