Geometry & MOs

Info

ID:	3907
PubChem CID:	10394
Reduced:	O3C9H10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	166.062994
ΔH_f, kcal/mol:	-117.04
Dipole, Da:	4.23
IP(EA), eV:	-9.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)O)O

DOS

IR

Vibrations