Geometry & MOs

Info

ID:	122465
PubChem CID:	50807737
Reduced:	ClON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	455.237291
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	7.2
IP(EA), eV:	-8.13(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-benzylindol-2-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1CCN(CC1)CC2=CC3=CC=CC=C3N2CC4=CC=CC=C4Cl

DOS

IR

Vibrations