Geometry & MOs

Info

ID:	275677
PubChem CID:	103817023
Reduced:	ClF2N3O3H6C12 (1)
Stoich.:	AB2C3D3E6F12 (1)
Weight, g/mol:	358.93224
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	4.57
IP(EA), eV:	-9.62(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl)F)F

DOS

IR

Vibrations