Geometry & MOs

Info

ID:	294849
PubChem CID:	117500298
Reduced:	ClSN2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	314.119734
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	4.46
IP(EA), eV:	-8.86(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)N1C=CN(C1=O)C2=CC=CC=C2CS(=O)(=O)Cl

DOS

IR

Vibrations