Geometry & MOs

Info

ID:	237848
PubChem CID:	92721951
Reduced:	FON3C28H36 (1)
Stoich.:	ABC3D28E36 (1)
Weight, g/mol:	449.284241
ΔH_f, kcal/mol:	-61.94
Dipole, Da:	5.54
IP(EA), eV:	-8.3(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCCNC(=O)CCC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4F)C

DOS

IR

Vibrations