Geometry & MOs

Info

ID:	40828
PubChem CID:	8144768
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	372.265102
ΔH_f, kcal/mol:	-104.26
Dipole, Da:	2.14
IP(EA), eV:	-8.96(0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CC[C@@]1(C(=O)N(C(=O)N1)CN2CCC(CC2)CC3=CC=CC=C3)C

DOS

IR

Vibrations