Geometry & MOs

Info

ID:	226635
PubChem CID:	87550944
Reduced:	ON2F3H7C11 (2)
Stoich.:	AB2C3D7E11 (2)
Weight, g/mol:	450.239973
ΔH_f, kcal/mol:	-254.44
Dipole, Da:	4.34
IP(EA), eV:	-9.43(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yloxyethyl 2-(3-methyl-1H-imidazol-3-ium-2-yl)acetate;octyl sulfate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=C2C3=CN=C(N3)C4=CC=C(C=C4)C(=O)NCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations