Geometry & MOs

Info

ID:	40881
PubChem CID:	8144899
Reduced:	N3O4C15H25 (1)
Stoich.:	A3B4C15D25 (1)
Weight, g/mol:	400.223631
ΔH_f, kcal/mol:	-199.61
Dipole, Da:	1.03
IP(EA), eV:	-9.12(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)N(C(=O)N1)CN2CCC(CC2)C(=O)OCC

DOS

IR

Vibrations