Geometry & MOs

Info

ID:	52281
PubChem CID:	12015099
Reduced:	FNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-193.68
Dipole, Da:	1.04
IP(EA), eV:	-9.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(3-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)F)C(=O)OCC)C)C

DOS

IR

Vibrations