Geometry & MOs

Info

ID:	441934
PubChem CID:	135246802
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	348.144948
ΔH_f, kcal/mol:	9.59
Dipole, Da:	2.16
IP(EA), eV:	-8.63(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E,4Z)-3-ethylhexa-2,4-dien-2-yl]-2-[6-(trifluoromethyl)pyridin-3-yl]oxypyridine

Drug info:

PubChemData

Smile

CN(CCOC)C1=NC=C(C=N1)OC2=C(C=CC=N2)Br

DOS

IR

Vibrations