Geometry & MOs

Info

ID:	338346
PubChem CID:	127259038
Reduced:	NPO4H22C27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	402.099651
ΔH_f, kcal/mol:	0.32
Dipole, Da:	14.75
IP(EA), eV:	-7.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2,2-trifluoro-1-(triphenyl-lambda5-phosphanylidene)ethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations