Geometry & MOs

Info

ID:	258431
PubChem CID:	103153931
Reduced:	BrN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-80.71
Dipole, Da:	8.96
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC1=C(C=C(C=C1)C#N)Br

DOS

IR

Vibrations