Geometry & MOs

Info

ID:	371882
PubChem CID:	131276911
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	230.09185
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	4.6
IP(EA), eV:	-8.92(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-ethyl-2-methyl-5-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1CCC[C@]2(CO)N

DOS

IR

Vibrations