Geometry & MOs

Info

ID:	269065
PubChem CID:	103609682
Reduced:	NO2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-99.1
Dipole, Da:	3.47
IP(EA), eV:	-9.66(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-propan-2-ylphenoxy)pyridine-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC=C1)OC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations