Geometry & MOs

Info

ID:	31111
PubChem CID:	854574
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	276.079787
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	4.25
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dihydroxy-5-methylphenyl)-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC(=CCOC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2)C

DOS

IR

Vibrations