Geometry & MOs

Info

ID:	404414
PubChem CID:	135066181
Reduced:	NPO2H22C23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	326.088338
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	3.75
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(3-fluorophenoxy)phosphoryl]-3-fluorophenol

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C2=C3C=C(C=CC3=C4C=C(C=CC4=N2)C)C

DOS

IR

Vibrations