Geometry & MOs

Info

ID:	126455
PubChem CID:	50965611
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	11.15
Dipole, Da:	8.49
IP(EA), eV:	-9.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC3=NNC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations