Geometry & MOs

Info

ID:	227963
PubChem CID:	87563134
Reduced:	ClON3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	281.066363
ΔH_f, kcal/mol:	10.78
Dipole, Da:	5.51
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=NC2=C1OC=C2)Cl

DOS

IR

Vibrations