Geometry & MOs

Info

ID:	225466
PubChem CID:	85787056
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	3.61
IP(EA), eV:	-9.15(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8,10-trimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

COC(C(C1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2)OC

DOS

IR

Vibrations