Geometry & MOs

Info

ID:	40880
PubChem CID:	8144898
Reduced:	N3O4C15H26 (1)
Stoich.:	A3B4C15D26 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-176.14
Dipole, Da:	3.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756926
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)C(=O)OCC

DOS

IR

Vibrations