Geometry & MOs

Info

ID:	136665
PubChem CID:	52082503
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	4.21
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NCCSCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations