Geometry & MOs

Info

ID:	317334
PubChem CID:	126636197
Reduced:	NF2O2H21C24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	334.042848
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	2.09
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-4-(1,1,2,2,2-pentafluoroethyl)benzaldehyde

Drug info:

PubChemData

Smile

C/C=C\C=C(/C1=NC(=C(C=C1)C2=CC(=CC=C2)O)C)\OCC3=C(C=CC=C3F)F

DOS

IR

Vibrations