Geometry & MOs

Info

ID:	373387
PubChem CID:	131314453
Reduced:	BrClF2O2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-173.34
Dipole, Da:	3.32
IP(EA), eV:	-10.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC=C1Br)OC(F)F)Cl

DOS

IR

Vibrations