Geometry & MOs

Info

ID:	157292
PubChem CID:	56422580
Reduced:	FN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	404.130298
ΔH_f, kcal/mol:	-134.81
Dipole, Da:	5.98
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3CCN(CC3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations