Geometry & MOs

Info

ID:	266195
PubChem CID:	103558758
Reduced:	SO4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	286.118064
ΔH_f, kcal/mol:	-180.53
Dipole, Da:	9.29
IP(EA), eV:	-10.0(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)CCCS(=O)(=O)C

DOS

IR

Vibrations