Geometry & MOs

Info

ID:	173720
PubChem CID:	75673544
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	443.06064
ΔH_f, kcal/mol:	-91.71
Dipole, Da:	4.39
IP(EA), eV:	-8.46(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC

DOS

IR

Vibrations