Geometry & MOs

Info

ID:	295000
PubChem CID:	117511327
Reduced:	BrNO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-101.21
Dipole, Da:	3.25
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-bromo-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1C2CNCCO2)OC)OC)Br

DOS

IR

Vibrations