Geometry & MOs

Info

ID:	25721
PubChem CID:	629739
Reduced:	OSiC22H46 (1)
Stoich.:	ABC22D46 (1)
Weight, g/mol:	360.044775
ΔH_f, kcal/mol:	-177.9
Dipole, Da:	1.91
IP(EA), eV:	-9.05(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCO[Si]1(CCCC1)CC

DOS

IR

Vibrations