Geometry & MOs

Info

ID:	40932
PubChem CID:	8144976
Reduced:	N3O4C22H37 (1)
Stoich.:	A3B4C22D37 (1)
Weight, g/mol:	360.192331
ΔH_f, kcal/mol:	-226.92
Dipole, Da:	1.89
IP(EA), eV:	-8.99(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCC(CC3)C(=O)OCC

DOS

IR

Vibrations