Geometry & MOs

Info

ID:	403685
PubChem CID:	135061359
Reduced:	F2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-128.84
Dipole, Da:	4.61
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)phenyl]butan-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC(=C1)F)F)C2=CC=C(C=C2)OC

DOS

IR

Vibrations