Geometry & MOs

Info

ID:	19537
PubChem CID:	567025
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	317.235479
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	4.32
IP(EA), eV:	-8.51(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethyl-4-propoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C(=C1)C)C(=O)C(C)CN2CCCCC2)C

DOS

IR

Vibrations