Geometry & MOs

Info

ID:	381971
PubChem CID:	134972859
Reduced:	ClYN3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	389.94989
ΔH_f, kcal/mol:	77.65
Dipole, Da:	5.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.204495
Charge, e:	-2

Chem-info

IUPAC name:

benzene;4-(2-chlorophenyl)-3-methanidyl-1H-1,2,4-triazole-5-thione;yttrium

Drug info:

PubChemData

Smile

[CH2-]C1=NN=CN1C2=CC=CC=C2Cl.C1=CC=[C-]C=C1.[Y]

DOS

IR

Vibrations