Geometry & MOs

Info

ID:	141891
PubChem CID:	52947214
Reduced:	ClN5C19H34 (1)
Stoich.:	AB5C19D34 (1)
Weight, g/mol:	502.247642
ΔH_f, kcal/mol:	-19.37
Dipole, Da:	4.41
IP(EA), eV:	-8.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexylsulfanyl-1-[(E)-2-cyclohexylsulfanyl-1-(4-methylphenyl)ethenyl]-3-(4-methylphenyl)pyrazole

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N=C(C1)NCCCNCCCNCCCN.Cl

DOS

IR

Vibrations