Geometry & MOs

Info

ID:	41447
PubChem CID:	8145901
Reduced:	N4O4C19H28 (1)
Stoich.:	A4B4C19D28 (1)
Weight, g/mol:	374.195405
ΔH_f, kcal/mol:	-121.05
Dipole, Da:	4.81
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCC[C@@H]1C(=O)N(C(=O)N1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations