Geometry & MOs

Info

ID:	294731
PubChem CID:	117486429
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	301.03136
ΔH_f, kcal/mol:	-87.05
Dipole, Da:	5.31
IP(EA), eV:	-9.16(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC(CC1=C(C=C(C(=C1OC)OC)C=O)Br)N

DOS

IR

Vibrations