Geometry & MOs

Info

ID:	40937
PubChem CID:	8144987
Reduced:	N3O4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	3.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.095003
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)[C@@](NC2=O)(C)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations