Geometry & MOs

Info

ID:	227155
PubChem CID:	87560369
Reduced:	ClF2N4O5H23C25 (1)
Stoich.:	AB2C4D5E23F25 (1)
Weight, g/mol:	259.064471
ΔH_f, kcal/mol:	-166.7
Dipole, Da:	0.7
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-(4-formylphenoxy)benzamide

Drug info:

PubChemData

Smile

C/C(=C\C=O)/C(=O)ON1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=C(C=C4)F)Cl)F)OC

DOS

IR

Vibrations