Geometry & MOs

Info

ID:	280604
PubChem CID:	103850146
Reduced:	FNO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	234.080456
ΔH_f, kcal/mol:	-68.37
Dipole, Da:	6.64
IP(EA), eV:	-9.45(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COC2=C(C=C(C=C2)C=O)F)C#N

DOS

IR

Vibrations