Geometry & MOs

Info

ID:	442774
PubChem CID:	135256184
Reduced:	O2N9H25C26 (1)
Stoich.:	A2B9C25D26 (1)
Weight, g/mol:	253.90108
ΔH_f, kcal/mol:	87.74
Dipole, Da:	7.16
IP(EA), eV:	-8.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxopyridazin-1-yl) thiohypoiodite

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)O)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N

DOS

IR

Vibrations