Geometry & MOs

Info

ID:	41504
PubChem CID:	8146003
Reduced:	ClO2N3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	400.223631
ΔH_f, kcal/mol:	-27.98
Dipole, Da:	1.62
IP(EA), eV:	-9.57(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C(=O)N/N=C\C1=CC=C(C=C1)Cl

DOS

IR

Vibrations