Geometry & MOs

Info

ID:	404402
PubChem CID:	135066166
Reduced:	PO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	362.069494
ΔH_f, kcal/mol:	-173.87
Dipole, Da:	2.41
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(3,4-difluorophenoxy)phosphoryl]-3,4-difluorophenol

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C2=CC3=C(C=C2)C=CC(=C3)P(=O)(C4=CC=CC=C4)OCC

DOS

IR

Vibrations