Geometry & MOs

Info

ID:	401769
PubChem CID:	135052479
Reduced:	BSH2C3N3F4 (1)
Stoich.:	ABC2D3E3F4 (1)
Weight, g/mol:	226.00092
ΔH_f, kcal/mol:	-198.21
Dipole, Da:	3.6
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4,5-dimethylphenyl) selenocyanate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C1=CSC(=N1)[N+]#N

DOS

IR

Vibrations