Geometry & MOs

Info

ID:	288766
PubChem CID:	104325336
Reduced:	ClNSO5H12C13 (1)
Stoich.:	ABCD5E12F13 (1)
Weight, g/mol:	281.091275
ΔH_f, kcal/mol:	-117.48
Dipole, Da:	6.92
IP(EA), eV:	-9.41(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-hydrazinyl-5-methylpyrimidin-4-yl)oxy-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OCCOCCS(=O)(=O)Cl

DOS

IR

Vibrations