Geometry & MOs

Info

ID:	27583
PubChem CID:	822320
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	252.049469
ΔH_f, kcal/mol:	-171.2
Dipole, Da:	4.0
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2,4,7-trioxo-8H-pteridine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(N(C(=O)N(C1=O)C)C)NC(=O)C

DOS

IR

Vibrations