Geometry & MOs

Info

ID:	441530
PubChem CID:	135235778
Reduced:	O2F3N3H12C18 (1)
Stoich.:	A2B3C3D12E18 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-126.49
Dipole, Da:	6.75
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(4-ethylpyridin-3-yl)pyridin-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

C1COC2=C1C=CC=C2C3=CN=CN=C3OC4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations