Geometry & MOs

Info

ID:	40939
PubChem CID:	8144990
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	354.239282
ΔH_f, kcal/mol:	-144.06
Dipole, Da:	0.6
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[(4R)-4-methyl-4-(3-methylbutyl)-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=CC=CC4=CC=CC=C43

DOS

IR

Vibrations