Geometry & MOs

Info

ID:	153056
PubChem CID:	56312180
Reduced:	FSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	372.221306
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	8.42
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluorophenyl)methyl]-4-[2-(2-phenoxyethoxy)ethyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations