Geometry & MOs

Info

ID:	122466
PubChem CID:	50807781
Reduced:	FON3C29H30 (1)
Stoich.:	ABC3D29E30 (1)
Weight, g/mol:	453.218305
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	4.33
IP(EA), eV:	-8.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)F)CC3=CC4=CC=CC=C4N3CC5=CC=CC=C5

DOS

IR

Vibrations