Geometry & MOs

Info

ID:	445413
PubChem CID:	135266925
Reduced:	H5N5C6 (1)
Stoich.:	A5B5C6 (1)
Weight, g/mol:	318.045443
ΔH_f, kcal/mol:	143.13
Dipole, Da:	5.77
IP(EA), eV:	-8.71(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[(2,6-diamino-3-diazenylpyridin-4-yl)sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

C1=C2C(=C=NC(=C1)N)NN=N2

DOS

IR

Vibrations