Geometry & MOs

Info

ID:	20584
PubChem CID:	584697
Reduced:	NCl2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	325.027249
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	4.74
IP(EA), eV:	-9.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloro-2,6-dimethylpyridin-4-yl) 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Cl)OC(=O)C2=CC=C(C=C2)OC)Cl

DOS

IR

Vibrations