Geometry & MOs

Info

ID:	276078
PubChem CID:	103820415
Reduced:	FION2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	256.076039
ΔH_f, kcal/mol:	5.77
Dipole, Da:	8.09
IP(EA), eV:	-9.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-fluorophenyl)-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=C(C=C2)C#N)F)I

DOS

IR

Vibrations