Geometry & MOs

Info

ID:	297822
PubChem CID:	117633137
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	232.071114
ΔH_f, kcal/mol:	16.82
Dipole, Da:	3.06
IP(EA), eV:	-8.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCC(CC)OC1=NN(C(=C)C=C1)C(=NC)N

DOS

IR

Vibrations