Geometry & MOs

Info

ID:	11153
PubChem CID:	111507
Reduced:	N2O3C15H29 (1)
Stoich.:	A2B3C15D29 (1)
Weight, g/mol:	285.217818
ΔH_f, kcal/mol:	-152.01
Dipole, Da:	3.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762873
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(2-hydroxyethyl)-2-octyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=[N+](CCN1CCO)CC(=O)O

DOS

IR

Vibrations