Geometry & MOs

Info

ID:	11966
PubChem CID:	124408
Reduced:	ClN2O2C23H43 (1)
Stoich.:	AB2C2D23E43 (1)
Weight, g/mol:	414.301306
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	53.71
IP(EA), eV:	-5.17(-3.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hexadec-7-enyl-1-(2-hydroxyethyl)imidazol-1-ium-1-yl]ethanol;chloride

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCC1=NC=C[N+]1(CCO)CCO.[Cl-]

DOS

IR

Vibrations