Geometry & MOs

Info

ID:	126940
PubChem CID:	50984679
Reduced:	OSN5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	52.32
Dipole, Da:	6.85
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=C(S2)C(CC(=O)NC3)C4=CC=C(C=C4)N5C=CC=N5

DOS

IR

Vibrations