Geometry & MOs

Info

ID:	83160
PubChem CID:	49857224
Reduced:	NOC11H17 (2)
Stoich.:	ABC11D17 (2)
Weight, g/mol:	358.262028
ΔH_f, kcal/mol:	-81.69
Dipole, Da:	7.39
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)OCCCN2CCCCC2)N3CCCCC3

DOS

IR

Vibrations