Geometry & MOs

Info

ID:	284573
PubChem CID:	104053275
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	272.121258
ΔH_f, kcal/mol:	-79.65
Dipole, Da:	3.85
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-3-(4-methoxy-2,5-dimethylphenyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)C2=C(C=CN=C2)C(=O)O

DOS

IR

Vibrations