Geometry & MOs

Info

ID:	220569
PubChem CID:	85197850
Reduced:	BrN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	331.14063
ΔH_f, kcal/mol:	-130.1
Dipole, Da:	7.13
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-3-ium-5-ylidene)-4-(furan-3-yl)but-3-enamide

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)CCCCC(C(=O)O)N)C(=O)N.[Br-]

DOS

IR

Vibrations