Geometry & MOs

Info

ID:	40933
PubChem CID:	8144980
Reduced:	N3O4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-139.34
Dipole, Da:	3.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757457
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations