Geometry & MOs

Info

ID:	233188
PubChem CID:	87692931
Reduced:	OH40C72 (1)
Stoich.:	AB40C72 (1)
Weight, g/mol:	175.985231
ΔH_f, kcal/mol:	504.68
Dipole, Da:	3.2
IP(EA), eV:	-8.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;acetic acid;2-chloroacetic acid

Drug info:

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=C4C=CC6=C5C=C(C7=CC=CC=C67)C8=CC9=C(C=C8)OC1=C9C=C(C=C1)C1=CC2=C(C=CC3=C2C=CC2=C3C=CC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C21

DOS

IR

Vibrations