Geometry & MOs

Info

ID:	390929
PubChem CID:	135001647
Reduced:	PO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	284.081361
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	5.14
IP(EA), eV:	-9.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]phosphonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)P(=O)(O)O

DOS

IR

Vibrations