Geometry & MOs

Info

ID:	388710
PubChem CID:	134989978
Reduced:	BrNO4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	181.999538
ΔH_f, kcal/mol:	-101.74
Dipole, Da:	2.91
IP(EA), eV:	-8.82(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8H-pteridin-7-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C=C(C(=O)OC2=C1OC)N)Br

DOS

IR

Vibrations