Geometry & MOs

Info

ID:	40413
PubChem CID:	8144076
Reduced:	O2N4C22H27 (1)
Stoich.:	A2B4C22D27 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-9.47
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758592
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations