Geometry & MOs

Info

ID:	146124
PubChem CID:	53639107
Reduced:	ON2C25H48 (1)
Stoich.:	AB2C25D48 (1)
Weight, g/mol:	266.079038
ΔH_f, kcal/mol:	-114.51
Dipole, Da:	3.15
IP(EA), eV:	-8.95(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-hydroxy-5-(2-hydroxyacetyl)-3-methoxyphenyl]but-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCN1CCCCCCNC1=O

DOS

IR

Vibrations