Geometry & MOs

Info

ID:	206546
PubChem CID:	80267324
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	259.11209
ΔH_f, kcal/mol:	-13.43
Dipole, Da:	3.36
IP(EA), eV:	-8.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=NC(=CS2)C(C)(C)C)NC

DOS

IR

Vibrations