Geometry & MOs

Info

ID:	245285
PubChem CID:	99443252
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-130.78
Dipole, Da:	4.17
IP(EA), eV:	-9.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CCNS(=O)(=O)C

DOS

IR

Vibrations