Geometry & MOs

Info

ID:	307610
PubChem CID:	125307737
Reduced:	BrN5H10C17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	249.054969
ΔH_f, kcal/mol:	184.46
Dipole, Da:	2.9
IP(EA), eV:	-9.26(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5S)-2,6-dioxo-5H-pyrimidin-5-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)/C=C(\C#N)/C3=NC4=C(N3)C=C(C=N4)Br

DOS

IR

Vibrations