Geometry & MOs

Info

ID:	413047
PubChem CID:	135085991
Reduced:	PF2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	326.088338
ΔH_f, kcal/mol:	-243.41
Dipole, Da:	4.16
IP(EA), eV:	-9.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[tert-butyl-(3-fluorophenoxy)phosphoryl]oxy-3-fluorobenzene

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(OC1=CC=C(C=C1)F)OC2=CC=C(C=C2)F

DOS

IR

Vibrations