Geometry & MOs

Info

ID:	40352
PubChem CID:	8143979
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	317.197751
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	2.98
IP(EA), eV:	-8.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-propylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations