Geometry & MOs

Info

ID:	134381
PubChem CID:	51688126
Reduced:	ClON3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	332.073669
ΔH_f, kcal/mol:	-13.16
Dipole, Da:	7.55
IP(EA), eV:	-8.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-chlorophenyl)-5-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CN(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)NCC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations