Geometry & MOs

Info

ID:	361923
PubChem CID:	127304919
Reduced:	FON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	388.216221
ΔH_f, kcal/mol:	0.43
Dipole, Da:	3.22
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCC(CC3)C4=CNC5=C4C=CC(=C5)F)C

DOS

IR

Vibrations