Geometry & MOs

Info

ID:	45436
PubChem CID:	10513371
Reduced:	FNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-166.52
Dipole, Da:	2.88
IP(EA), eV:	-10.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCCC(=O)O)F

DOS

IR

Vibrations