Geometry & MOs

Info

ID:	245323
PubChem CID:	99443295
Reduced:	FSO3N4H23C25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	361.215413
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	3.54
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethyl-1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N[C@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)F

DOS

IR

Vibrations