Geometry & MOs

Info

ID:	17687
PubChem CID:	512049
Reduced:	BrOCl2N3H6C10 (1)
Stoich.:	ABC2D3E6F10 (1)
Weight, g/mol:	332.90713
ΔH_f, kcal/mol:	7.36
Dipole, Da:	7.73
IP(EA), eV:	-9.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-bromo-6-(3,5-dichlorophenyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)C2=C(C(=O)N=C(N2)N)Br

DOS

IR

Vibrations