Geometry & MOs

Info

ID:	40883
PubChem CID:	8144901
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	400.223631
ΔH_f, kcal/mol:	-174.69
Dipole, Da:	1.0
IP(EA), eV:	-8.96(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[(4S)-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

CCOC(=O)C1CCN(CC1)CN2C(=O)[C@@](NC2=O)(C)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations