Geometry & MOs

Info

ID:	275675
PubChem CID:	103817021
Reduced:	BrClFN3O3H6C12 (1)
Stoich.:	ABCD3E3F6G12 (1)
Weight, g/mol:	328.93668
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	2.51
IP(EA), eV:	-9.54(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-5-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)NC(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations