Geometry & MOs

Info

ID:	295651
PubChem CID:	117541375
Reduced:	FNO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	1.93
IP(EA), eV:	-8.77(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxy-4-methylphenyl)-1-hydroxy-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CNCC(COC)C1=C(C=CC(=C1)F)OC

DOS

IR

Vibrations