Geometry & MOs

Info

ID:	169082
PubChem CID:	75061592
Reduced:	Cl2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	315.00928
ΔH_f, kcal/mol:	27.95
Dipole, Da:	4.23
IP(EA), eV:	-8.27(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-acetyl-7-bromo-1,3-dimethyl-4a,6-dihydropteridin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(=NN1CCN(CC1)C2=CC=CC=C2)C3=CC=CC=C3Cl.Cl

DOS

IR

Vibrations