Geometry & MOs

Info

ID:	280583
PubChem CID:	103850007
Reduced:	FNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	298.061692
ΔH_f, kcal/mol:	-107.01
Dipole, Da:	1.06
IP(EA), eV:	-8.96(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=O)F

DOS

IR

Vibrations