Geometry & MOs

Info

ID:	122460
PubChem CID:	50807511
Reduced:	OF2N3H27C28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	478.274405
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	5.19
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2F)CC3=CC4=CC=CC=C4N3CC5=CC(=CC=C5)F

DOS

IR

Vibrations