Geometry & MOs

Info

ID:	287349
PubChem CID:	104238021
Reduced:	ClO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	303.046235
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	5.64
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetyl-2-chlorophenoxy)methyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCCCC#C)Cl

DOS

IR

Vibrations