Geometry & MOs

Info

ID:	323302
PubChem CID:	126674065
Reduced:	OF4N4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	440.098223
ΔH_f, kcal/mol:	-157.54
Dipole, Da:	2.97
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloropyridin-4-yl)methyl]-4-fluoro-N-[(3S,4R)-3-fluoropiperidin-4-yl]indole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CNC[C@@H](C1NC(=O)C2=CN(C3=C(C=CC(=C23)F)F)CC4=C(C=NC=C4)F)F

DOS

IR

Vibrations