Geometry & MOs

Info

ID:	41467
PubChem CID:	8145929
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	418.258006
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	1.87
IP(EA), eV:	-9.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(5R)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCNC(=O)C(=O)N/N=C\C1=CC(=CC=C1)Br

DOS

IR

Vibrations