Geometry & MOs

Info

ID:	161230
PubChem CID:	57391105
Reduced:	NaO3N5H14C15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	312.109664
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	9.22
IP(EA), eV:	-7.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=NC=NC(=C2N(C(=O)C1=O)[O-])NCCC3=CC=CC=C3.[Na+]

DOS

IR

Vibrations