Geometry & MOs

Info

ID:	12321
PubChem CID:	134852
Reduced:	NOH2C3 (4)
Stoich.:	ABC2D3 (4)
Weight, g/mol:	272.054555
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	5.38
IP(EA), eV:	-9.94(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2,4-dioxo-10H-benzo[g]pteridine-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)O)NC3=NC(=O)NC(=O)C3=N2

DOS

IR

Vibrations