Geometry & MOs

Info

ID:	233197
PubChem CID:	87793190
Reduced:	NS2O4F6H6C8 (1)
Stoich.:	AB2C4D6E6F8 (1)
Weight, g/mol:	250.060549
ΔH_f, kcal/mol:	-404.98
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997786
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-2-(3,4,5-trifluorophenyl)acetaldehyde

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations