Geometry & MOs

Info

ID:	40154
PubChem CID:	8143657
Reduced:	BrO3N4H9C15 (1)
Stoich.:	AB3C4D9E15 (1)
Weight, g/mol:	322.13223
ΔH_f, kcal/mol:	86.57
Dipole, Da:	7.29
IP(EA), eV:	-9.7(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-5-(3-chlorophenyl)-5-ethyl-3-(pyrrolidin-1-ium-1-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N/N=C(\C#N)/C(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations