Geometry & MOs

Info

ID:	265938
PubChem CID:	103556864
Reduced:	O2F3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-227.25
Dipole, Da:	4.85
IP(EA), eV:	-10.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxycyclobutyl)-3-(3-methylphenyl)propan-2-one

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations