Geometry & MOs

Info

ID:	420618
PubChem CID:	135114377
Reduced:	SF2N2O4C14H18 (1)
Stoich.:	AB2C2D4E14F18 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-235.45
Dipole, Da:	4.92
IP(EA), eV:	-9.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-ethylpyridin-2-yl)methyl-methylamino]methyl]-5-methoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations