Geometry & MOs

Info

ID:	383656
PubChem CID:	134975507
Reduced:	SeN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	274.034689
ΔH_f, kcal/mol:	68.51
Dipole, Da:	3.06
IP(EA), eV:	-8.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-amino-4-cyanopyrazole-1-carbodithioate

Drug info:

PubChemData

Smile

CCCN\1C(=C[Se]/C1=N/N)C2=CC=CC=C2

DOS

IR

Vibrations