Geometry & MOs

Info

ID:	293260
PubChem CID:	117379223
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-125.63
Dipole, Da:	9.52
IP(EA), eV:	-9.73(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC=CC=C1N(C)C(=O)N

DOS

IR

Vibrations