Geometry & MOs

Info

ID:	227582
PubChem CID:	87562037
Reduced:	ClFN2O3H8C11 (1)
Stoich.:	ABC2D3E8F11 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-93.02
Dipole, Da:	3.11
IP(EA), eV:	-10.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dihydro-3H-1,2-benzodioxepin-7-yl)-2-methylpentan-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C1=C(C(=CC=C1)Cl)F)\[O-])/[N+]#N

DOS

IR

Vibrations