Geometry & MOs

Info

ID:	178233
PubChem CID:	76298691
Reduced:	BrFN4O4C17H18 (1)
Stoich.:	ABC4D4E17F18 (1)
Weight, g/mol:	407.01034
ΔH_f, kcal/mol:	-194.94
Dipole, Da:	6.55
IP(EA), eV:	-10.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(5-bromo-2-oxopyridin-3-ylidene)-2-(3,7-dimethyl-2,6-dioxo-5H-purin-7-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2CC(CNC2=O)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations