Geometry & MOs

Info

ID:	323992
PubChem CID:	126676728
Reduced:	F3N6H11C19 (1)
Stoich.:	A3B6C11D19 (1)
Weight, g/mol:	332.117235
ΔH_f, kcal/mol:	23.54
Dipole, Da:	6.85
IP(EA), eV:	-9.02(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-fluoro-5-methylphenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)C(F)(F)F)C2=NN3C=CC=C3C(=N2)N4C=CC5=C4C=CN=C5

DOS

IR

Vibrations