Geometry & MOs

Info

ID:	293785
PubChem CID:	117401823
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-88.67
Dipole, Da:	3.69
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyano-4-hydroxy-5-methylphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=C2C=CC=NC2=C(C=C1)OC

DOS

IR

Vibrations