Geometry & MOs

Info

ID:	265889
PubChem CID:	103555999
Reduced:	BrO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	254.111836
ΔH_f, kcal/mol:	-136.32
Dipole, Da:	5.43
IP(EA), eV:	-9.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)C(=O)CC2(CCC2)OC)OC

DOS

IR

Vibrations