Geometry & MOs

Info

ID:	48474
PubChem CID:	10586280
Reduced:	OC16H34 (1)
Stoich.:	AB16C34 (1)
Weight, g/mol:	243.07741
ΔH_f, kcal/mol:	-121.38
Dipole, Da:	2.1
IP(EA), eV:	-10.19(2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethylbenzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

CCCCCCCC[C@H](C)CCC[C@@H](C)CO

DOS

IR

Vibrations