Geometry & MOs

Info

ID:	60085
PubChem CID:	26675663
Reduced:	F2N2O5H14C17 (1)
Stoich.:	A2B2C5D14E17 (1)
Weight, g/mol:	283.100857
ΔH_f, kcal/mol:	-135.78
Dipole, Da:	5.75
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluoro-2-propanoylphenoxy)methyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N\OCC2=NOC(=C2)C3=CC=CO3)OC(F)F

DOS

IR

Vibrations