Geometry & MOs

Info

ID:	266453
PubChem CID:	103566944
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	5.73
IP(EA), eV:	-9.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCC(=O)NC2CCCC2

DOS

IR

Vibrations