Geometry & MOs

Info

ID:	295862
PubChem CID:	117546047
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-17.45
Dipole, Da:	3.41
IP(EA), eV:	-9.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1,3-benzodioxol-5-yl)oxetan-3-yl]-2-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC(C)(CCN)C1(COC1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations