Geometry & MOs

Info

ID:	265937
PubChem CID:	103556863
Reduced:	BrO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	286.118064
ΔH_f, kcal/mol:	-63.15
Dipole, Da:	2.28
IP(EA), eV:	-9.64(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxycyclobutyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations