Geometry & MOs

Info

ID:	122468
PubChem CID:	50807823
Reduced:	ClON3C28H34 (1)
Stoich.:	ABC3D28E34 (1)
Weight, g/mol:	451.263506
ΔH_f, kcal/mol:	-13.77
Dipole, Da:	6.32
IP(EA), eV:	-8.27(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC4=CC=CC=C4N3CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations