Geometry & MOs

Info

ID:	294818
PubChem CID:	117498488
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	2.3
IP(EA), eV:	-8.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromo-4H-1,3-benzodioxin-5-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CNCC(=O)C1=C(C=CC(=C1)Br)N2CCOCC2

DOS

IR

Vibrations