Geometry & MOs

Info

ID:	230169
PubChem CID:	87570347
Reduced:	SCl2O2N6C23H28 (1)
Stoich.:	AB2C2D6E23F28 (1)
Weight, g/mol:	167.154824
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	8.65
IP(EA), eV:	-8.78(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-butan-2-yl-3-propan-2-ylimidazol-1-ium

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NC#N)Cl)Cl

DOS

IR

Vibrations