Geometry & MOs

Info

ID:	391936
PubChem CID:	135011137
Reduced:	Br2O2N3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	315.207253
ΔH_f, kcal/mol:	-36.59
Dipole, Da:	4.56
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(3-ethenyl-2-propan-2-yloxyphenoxy)butyl]-3-methylimidazol-3-ium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=CC1)C2=C3C=C(C=C(C3=NN2)Br)Br

DOS

IR

Vibrations