Geometry & MOs

Info

ID:	15513
PubChem CID:	443213
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	184.073559
ΔH_f, kcal/mol:	-163.76
Dipole, Da:	5.44
IP(EA), eV:	-9.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C[C@@H]([C@@H]1O)O)C(=O)O

DOS

IR

Vibrations