Geometry & MOs

Info

ID:	338222
PubChem CID:	127258914
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	308.198759
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	1.43
IP(EA), eV:	-9.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-hydroxypropyl)-2,5-dimethylphenoxy]-2,2-dimethylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)CNC(C)(C)C)O

DOS

IR

Vibrations