Geometry & MOs

Info

ID:	22803
PubChem CID:	598766
Reduced:	Br2N3O4H9C12 (1)
Stoich.:	A2B3C4D9E12 (1)
Weight, g/mol:	418.89393
ΔH_f, kcal/mol:	-64.3
Dipole, Da:	6.29
IP(EA), eV:	-10.06(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,2-dibromo-2-phenylethyl)-5-nitro-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)Br

DOS

IR

Vibrations