Geometry & MOs

Info

ID:	275668
PubChem CID:	103816986
Reduced:	ClN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	301.022974
ΔH_f, kcal/mol:	16.13
Dipole, Da:	4.29
IP(EA), eV:	-9.33(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations