Geometry & MOs

Info

ID:	295080
PubChem CID:	117515762
Reduced:	BrNO5H12C13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	341.06266
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	5.5
IP(EA), eV:	-9.43(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)Br)C2=CC(=NO2)C(=O)O)OC

DOS

IR

Vibrations