Geometry & MOs

Info

ID:	40353
PubChem CID:	8143980
Reduced:	O2N4C17H25 (1)
Stoich.:	A2B4C17D25 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	2.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758392
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations