Geometry & MOs

Info

ID:	227964
PubChem CID:	87563135
Reduced:	NO2F3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	281.066363
ΔH_f, kcal/mol:	-172.6
Dipole, Da:	4.94
IP(EA), eV:	-9.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S)-2,2,2-trifluoro-1-phenylethoxy]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=NC=C(C=C2)C=O)C(F)(F)F

DOS

IR

Vibrations