Geometry & MOs

Info

ID:	293726
PubChem CID:	117397671
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	7.77
IP(EA), eV:	-8.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[2-(6-chloro-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]hydroxylamine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C(=O)CNC)Cl)OC

DOS

IR

Vibrations