Geometry & MOs

Info

ID:	310
PubChem CID:	2556
Reduced:	PC8O8H15 (1)
Stoich.:	AB8C8D15 (1)
Weight, g/mol:	270.050454
ΔH_f, kcal/mol:	-436.05
Dipole, Da:	3.98
IP(EA), eV:	-10.84(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(C(CC1(C(=O)O)O)O)O)CP(=O)(O)O

DOS

IR

Vibrations