Geometry & MOs

Info

ID:	318315
PubChem CID:	126650496
Reduced:	ClN2F3O7H26C27 (1)
Stoich.:	AB2C3D7E26F27 (1)
Weight, g/mol:	365.081871
ΔH_f, kcal/mol:	-392.54
Dipole, Da:	5.15
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-acetylphenyl)-2-chloro-4-hydroxybenzonitrile;phenol

Drug info:

PubChemData

Smile

COCCC(C1=C(C(=CNC1=O)OC)C2=C(C=CC(=C2)Cl)OCC(F)(F)F)C(=O)NC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations