Geometry & MOs

Info

ID:	259933
PubChem CID:	103177815
Reduced:	BrN2O4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-101.13
Dipole, Da:	4.24
IP(EA), eV:	-8.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[2-(3-methoxypropoxy)ethoxy]-6-methylpyridin-2-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

COCCCOCCOC1=C(C=C(C=C1)/C(=N/O)/N)Br

DOS

IR

Vibrations