Geometry & MOs

Info

ID:	323298
PubChem CID:	126674045
Reduced:	ClOF4N4H19C20 (1)
Stoich.:	ABC4D4E19F20 (1)
Weight, g/mol:	405.146425
ΔH_f, kcal/mol:	-200.22
Dipole, Da:	4.69
IP(EA), eV:	-9.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-difluorophenyl)methyl]-4-fluoro-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCC(C1NC(=O)C2=CN(C3=C(C=CC(=C23)F)F)CC4=CC(=NC=C4)F)F.Cl

DOS

IR

Vibrations