Geometry & MOs

Info

ID:	269960
PubChem CID:	103621264
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	356.10994
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	3.82
IP(EA), eV:	-9.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations