Geometry & MOs

Info

ID:	284842
PubChem CID:	104076484
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	291.046235
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	3.5
IP(EA), eV:	-10.16(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenoxy)-4-(1-hydroxyethyl)benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C2=C(C=CC(=C2)C#N)[C@@H](C)O

DOS

IR

Vibrations