Geometry & MOs

Info

ID:	388681
PubChem CID:	134989864
Reduced:	IN2S3C5H9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	336.84242
ΔH_f, kcal/mol:	12.46
Dipole, Da:	5.96
IP(EA), eV:	-8.23(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-chloro-1lambda4,2-diselena-3,5-diazacyclopenta-3,5-dien-4-yl)benzonitrile

Drug info:

PubChemData

Smile

CCCSC1=S(SC(=N1)N)I

DOS

IR

Vibrations