Geometry & MOs

Info

ID:	294662
PubChem CID:	117479891
Reduced:	BrO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-11.36
Dipole, Da:	4.37
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-bromo-4H-1,3-benzodioxin-5-yl)cyclobutyl]methanamine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=C(C=C2)Br)OC)O)N

DOS

IR

Vibrations