Geometry & MOs

Info

ID:	406056
PubChem CID:	135076401
Reduced:	BrZnC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	481.94697
ΔH_f, kcal/mol:	89.2
Dipole, Da:	1.52
IP(EA), eV:	-8.45(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dibenzyl-4H-pyrimidin-4-ide-2,6-dione;iodozinc(1+)

Drug info:

PubChemData

Smile

CC1=CC(=C([C-]=C1)C)C.[Zn+]Br

DOS

IR

Vibrations