Geometry & MOs

Info

ID:	373878
PubChem CID:	131320968
Reduced:	ON5C7H9 (1)
Stoich.:	AB5C7D9 (1)
Weight, g/mol:	179.074642
ΔH_f, kcal/mol:	36.85
Dipole, Da:	9.24
IP(EA), eV:	-9.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-(4-hydroxyphenyl)butanenitrile

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C#N)NC(=O)CN

DOS

IR

Vibrations