Geometry & MOs

Info

ID:	221868
PubChem CID:	85291477
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-80.03
Dipole, Da:	2.39
IP(EA), eV:	-9.38(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzyl-3-ethenyl-3-hydroxypiperidin-4-yl)propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCCC1CCC2N1C(CO2)C3=CC=CC=C3

DOS

IR

Vibrations