Geometry & MOs

Info

ID:	293657
PubChem CID:	117395255
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	3.8
IP(EA), eV:	-8.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-pentan-3-ylphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)Cl)C(CN)O

DOS

IR

Vibrations