Geometry & MOs

Info

ID:	40494
PubChem CID:	8144231
Reduced:	O3N4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	11.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771152
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations