Geometry & MOs

Info

ID:	397914
PubChem CID:	135030960
Reduced:	BrON3H16C22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	255.090686
ΔH_f, kcal/mol:	101.81
Dipole, Da:	9.02
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(2-fluoropyridin-3-yl)propanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=N2)C3=CC=CC=C3C(=O)C4=CC(=CC=C4)Br

DOS

IR

Vibrations