Geometry & MOs

Info

ID:	370579
PubChem CID:	127339717
Reduced:	FON2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	360.115317
ΔH_f, kcal/mol:	-120.89
Dipole, Da:	5.78
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-fluoro-1H-indol-2-yl)-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3CCN(C3=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations