Geometry & MOs

Info

ID:	6046
PubChem CID:	14340
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-156.38
Dipole, Da:	2.29
IP(EA), eV:	-8.9(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)O)O

DOS

IR

Vibrations