Geometry & MOs

Info

ID:	374197
PubChem CID:	131325324
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-46.35
Dipole, Da:	7.54
IP(EA), eV:	-10.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-propan-2-yloxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1C(=O)O)C#N

DOS

IR

Vibrations