Geometry & MOs

Info

ID:	288760
PubChem CID:	104325199
Reduced:	ClSN2O4H5C13 (1)
Stoich.:	ABC2D4E5F13 (1)
Weight, g/mol:	283.095691
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	9.0
IP(EA), eV:	-9.8(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(hydroxymethyl)-2,5-dimethylpyrazol-3-yl]oxy-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OC3=NC(=C(S3)C(=O)O)Cl

DOS

IR

Vibrations