Geometry & MOs

Info

ID:	145114
PubChem CID:	53465404
Reduced:	FON4C25H25 (1)
Stoich.:	ABC4D25E25 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	19.29
Dipole, Da:	3.28
IP(EA), eV:	-8.32(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3,5-dimethylpyridin-2-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1C)C)COC2=CC=C(C=C2)C3=NN(C=C3C4=CC=NC=C4)CCF

DOS

IR

Vibrations