Geometry & MOs

Info

ID:	40829
PubChem CID:	8144769
Reduced:	O2N3C22H34 (1)
Stoich.:	A2B3C22D34 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	-80.34
Dipole, Da:	2.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757777
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations