Geometry & MOs

Info

ID:	264761
PubChem CID:	103489271
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	5.54
IP(EA), eV:	-9.04(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-2-(1-ethoxypropan-2-yloxy)ethanone

Drug info:

PubChemData

Smile

CCOCC(C)OCC(=O)C1=CN(C=C1)C

DOS

IR

Vibrations