Geometry & MOs

Info

ID:	284833
PubChem CID:	104074665
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	5.11
IP(EA), eV:	-9.43(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-3-[2-(hydroxymethyl)phenoxy]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)F)OC)C#N

DOS

IR

Vibrations