Geometry & MOs

Info

ID:	136366
PubChem CID:	52028459
Reduced:	FON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	370.143463
ΔH_f, kcal/mol:	-18.59
Dipole, Da:	4.17
IP(EA), eV:	-8.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC=C2F)[C@H]3CCCN3C(=O)C4=CN=CC=C4

DOS

IR

Vibrations