Geometry & MOs

Info

ID:	323291
PubChem CID:	126674016
Reduced:	ClOF2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	409.148094
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	2.93
IP(EA), eV:	-9.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-1-[1-(1H-pyrazol-4-yl)ethyl]indole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CNC[C@@H](C1NC(=O)C2=CN(C3=C2C(=CC=C3)F)CC4=CC(=NC=C4)Cl)F

DOS

IR

Vibrations