Geometry & MOs

Info

ID:	374262
PubChem CID:	131325954
Reduced:	ClN2F3O3H4C7 (1)
Stoich.:	AB2C3D3E4F7 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-255.25
Dipole, Da:	8.04
IP(EA), eV:	-9.78(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1N)C(=O)O)OC(F)(F)F)Cl

DOS

IR

Vibrations