Geometry & MOs

Info

ID:	269113
PubChem CID:	103614564
Reduced:	BrN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	342.09429
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	1.78
IP(EA), eV:	-8.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNCC1=CC2=C(C=C1Br)OCO2

DOS

IR

Vibrations