Geometry & MOs

Info

ID:	148101
PubChem CID:	53787763
Reduced:	ClOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	673.624719
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	3.79
IP(EA), eV:	-9.08(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(2-hydroxyethyl)-2-octadec-9-enyl-4,5-dihydro-1H-imidazol-3-ium-4-yl]ethyl octadec-9-enoate

Drug info:

PubChemData

Smile

CC(C)(CO)OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations