Geometry & MOs

Info

ID:	209195
PubChem CID:	80637845
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	22.93
Dipole, Da:	6.28
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[6-(2,4-dimethylphenoxy)-5-methylpyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C)C2=NC=C(C=C2)C=O

DOS

IR

Vibrations