Geometry & MOs

Info

ID:	37077
PubChem CID:	8016562
Reduced:	FON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-38.44
Dipole, Da:	5.36
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1C2=CC=CC=C2[C@]3(C1=O)C4=C(CCN3)C5=C(N4)C=CC(=C5)F

DOS

IR

Vibrations