Geometry & MOs

Info

ID:	37078
PubChem CID:	8016581
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	367.238553
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	9.35
IP(EA), eV:	-9.02(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=CC=C1OCCCCN2CCCC[C@H]2C3=CN=CC=C3

DOS

IR

Vibrations