Geometry & MOs

Info

ID:	161229
PubChem CID:	57391104
Reduced:	BrON5H10C11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	335.099434
ΔH_f, kcal/mol:	79.62
Dipole, Da:	4.09
IP(EA), eV:	-9.15(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;8-methyl-5-oxido-4-(2-phenylethylamino)pteridine-6,7-dione

Drug info:

PubChemData

Smile

CNC1=C(C(=NC=N1)NC2=CC(=CC=C2)Br)N=O

DOS

IR

Vibrations