Geometry & MOs

Info

ID:	387295
PubChem CID:	134984808
Reduced:	BrN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	519.09334
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	6.62
IP(EA), eV:	-8.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1E)-1-(furan-3-ylmethylidene)-2-[(2-iodophenyl)methyl]-3,5-diphenylpyrazolidin-1-ium

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C[C@@H](N(N1CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations