Geometry & MOs

Info

ID:	340554
PubChem CID:	127262565
Reduced:	F3O3N4H7C10 (1)
Stoich.:	A3B3C4D7E10 (1)
Weight, g/mol:	476.165365
ΔH_f, kcal/mol:	-185.72
Dipole, Da:	6.63
IP(EA), eV:	-10.62(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-(3-aminophenoxy)phenyl]-phenylphosphanyl]phenoxy]aniline

Drug info:

PubChemData

Smile

C=CCN1C=C(C(=O)N2C1=NC(=N2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations