Geometry & MOs

Info

ID:	40849
PubChem CID:	8144836
Reduced:	O2N3C26H34 (1)
Stoich.:	A2B3C26D34 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-40.77
Dipole, Da:	2.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757382
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[(4-benzylpiperidin-1-yl)methyl]-5-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations