Geometry & MOs

Info

ID:	164787
PubChem CID:	74453151
Reduced:	O3N6C24H38 (1)
Stoich.:	A3B6C24D38 (1)
Weight, g/mol:	363.244781
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	7.88
IP(EA), eV:	-8.95(0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C2CC3CC4C(CC3NC2=O)OCO4)C5=NN=NN5C6CCCCC6

DOS

IR

Vibrations