Geometry & MOs

Info

ID:	153025
PubChem CID:	56312140
Reduced:	OCl2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-11.39
Dipole, Da:	6.75
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC(=NC(=C3)Cl)Cl

DOS

IR

Vibrations