Geometry & MOs

Info

ID:	151422
PubChem CID:	53801242
Reduced:	SCl2O3N4C21H24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	272.225249
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	4.57
IP(EA), eV:	-8.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-5-(2,6-dimethylhepta-1,5-dienyl)imidazole

Drug info:

PubChemData

Smile

CCC1=NC(=C(C=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=CC(=C3)Cl)Cl)OC

DOS

IR

Vibrations