Geometry & MOs

Info

ID:	265886
PubChem CID:	103555995
Reduced:	BrFO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	236.121258
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	3.25
IP(EA), eV:	-10.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations