Geometry & MOs

Info

ID:	50341
PubChem CID:	12012862
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	504.161263
ΔH_f, kcal/mol:	21.52
Dipole, Da:	4.1
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-butylimidazol-3-ium-1-yl)ethyl 4-(2-formylphenoxy)butanoate;hexafluorophosphate

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C(N=C(N=C21)CCO)NCC3=CC=CC=C3

DOS

IR

Vibrations