Geometry & MOs

Info

ID:	231741
PubChem CID:	87574546
Reduced:	O4C5H8 (1)
Stoich.:	A4B5C8 (1)
Weight, g/mol:	388.322042
ΔH_f, kcal/mol:	-167.22
Dipole, Da:	4.24
IP(EA), eV:	-11.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-heptadecyl-1-hydroxy-4,5-dihydroimidazol-1-ium;chloride

Drug info:

PubChemData

Smile

COC(=O)C(=C)C(O)O

DOS

IR

Vibrations