Geometry & MOs

Info

ID:	323303
PubChem CID:	126674068
Reduced:	OCl2F2N4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	440.098223
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	8.43
IP(EA), eV:	-9.15(-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)-3-fluoropiperidin-4-yl]indole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CNC[C@@H]([C@@H]1NC(=O)C2=CN(C3=C2C(=CC=C3)F)CC4=CC(=NC=C4)Cl)F.Cl

DOS

IR

Vibrations