Geometry & MOs

Info

ID:	50581
PubChem CID:	12013131
Reduced:	NCl2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-3.49
Dipole, Da:	3.41
IP(EA), eV:	-9.77(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CON=C1C(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations