Geometry & MOs

Info

ID:	260731
PubChem CID:	103201942
Reduced:	ClO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-6.77
Dipole, Da:	4.23
IP(EA), eV:	-8.43(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methoxyphenoxy)-6-methylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC2=NC=C(C=N2)Cl)N

DOS

IR

Vibrations