Geometry & MOs

Info

ID:	245738
PubChem CID:	103023162
Reduced:	FN3C12H20 (1)
Stoich.:	AB3C12D20 (1)
Weight, g/mol:	260.102414
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	2.53
IP(EA), eV:	-8.78(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(C2CCNCC2)F

DOS

IR

Vibrations