Geometry & MOs

Info

ID:	260729
PubChem CID:	103201933
Reduced:	ClN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	241.085127
ΔH_f, kcal/mol:	-1.71
Dipole, Da:	6.73
IP(EA), eV:	-8.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-4-methoxyphenoxy)pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC2=CC(=C(C=C2)C#N)Cl)N

DOS

IR

Vibrations