Geometry & MOs

Info

ID:	26657
PubChem CID:	794477
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	259.034154
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	6.38
IP(EA), eV:	-8.91(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitro-10H-benzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC=CC(=C3)C

DOS

IR

Vibrations