Geometry & MOs

Info

ID:	122459
PubChem CID:	50807510
Reduced:	FON3C30H32 (1)
Stoich.:	ABC3D30E32 (1)
Weight, g/mol:	459.212219
ΔH_f, kcal/mol:	-18.95
Dipole, Da:	6.37
IP(EA), eV:	-8.2(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC3=CC4=CC=CC=C4N3CC5=CC(=CC=C5)F

DOS

IR

Vibrations