Geometry & MOs

Info

ID:	165480
PubChem CID:	74554960
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	416.08826
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	6.63
IP(EA), eV:	-8.54(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(3-methylphenyl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2=CNC3=CC=CC=C32)CBr

DOS

IR

Vibrations