Geometry & MOs

Info

ID:	408423
PubChem CID:	135081189
Reduced:	SCl3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	227.001703
ΔH_f, kcal/mol:	47.61
Dipole, Da:	2.58
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dichloromethyl)-3-phenyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SC#CC(=C(Cl)Cl)Cl

DOS

IR

Vibrations