Geometry & MOs

Info

ID:	260043
PubChem CID:	103179349
Reduced:	BrNO3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	273.230394
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	3.81
IP(EA), eV:	-8.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine

Drug info:

PubChemData

Smile

COCCCOCCNC1=CC(=CC(=C1)Br)OC

DOS

IR

Vibrations