Geometry & MOs

Info

ID:	4798
PubChem CID:	12054
Reduced:	PO5C7H7 (1)
Stoich.:	AB5C7D7 (1)
Weight, g/mol:	202.00311
ΔH_f, kcal/mol:	-239.68
Dipole, Da:	3.63
IP(EA), eV:	-10.65(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phosphonobenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)P(=O)(O)O

DOS

IR

Vibrations