Geometry & MOs

Info

ID:	40943
PubChem CID:	8144996
Reduced:	N3O4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	4.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.068926
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(4R)-4-methyl-4-naphthalen-2-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=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations