Geometry & MOs

Info

ID:	315751
PubChem CID:	126628671
Reduced:	BrON6H9C11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	280.97999
ΔH_f, kcal/mol:	74.92
Dipole, Da:	4.32
IP(EA), eV:	-8.52(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-bromoacetyl)-3-methylpyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=NC2=C(C1=O)C=CN=C2N3C=C(C(=N3)N)Br

DOS

IR

Vibrations