Geometry & MOs

Info

ID:	287637
PubChem CID:	104249674
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-60.8
Dipole, Da:	1.64
IP(EA), eV:	-9.05(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-2-(oxan-2-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CC(=O)CC2CCCCO2

DOS

IR

Vibrations