Geometry & MOs

Info

ID:	150964
PubChem CID:	53790661
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	5.96
IP(EA), eV:	-9.41(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylphenyl)-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1CC2C3C(NCN2C(=O)C1)N=CN3

DOS

IR

Vibrations