Geometry & MOs

Info

ID:	381970
PubChem CID:	134972858
Reduced:	S3H19C23 (2)
Stoich.:	A3B19C23 (2)
Weight, g/mol:	357.97782
ΔH_f, kcal/mol:	117.39
Dipole, Da:	1.67
IP(EA), eV:	-8.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(C2=C(C3=C(S2)C=CC4=C3C5=C(S4)C(=C(C6=C5C7=C(S6)C=CC8=C7C=CS8)CCC)CCC)C9=C1SC1=C9C2=C(C=C1)SC=C2)CCC

DOS

IR

Vibrations