Geometry & MOs

Info

ID:	295481
PubChem CID:	117530476
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-119.69
Dipole, Da:	9.45
IP(EA), eV:	-9.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-4-methoxyphenyl)-2-hydroxy-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCCC1=CNC=C(C1=O)C(=O)O

DOS

IR

Vibrations