Geometry & MOs

Info

ID:	330281
PubChem CID:	127247268
Reduced:	FON4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	312.138639
ΔH_f, kcal/mol:	-12.48
Dipole, Da:	6.11
IP(EA), eV:	-9.01(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-1H-indol-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=C(N3)C(=CC=C4)F

DOS

IR

Vibrations