Geometry & MOs

Info

ID:	260085
PubChem CID:	103180831
Reduced:	ClO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	5.17
IP(EA), eV:	-9.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[2-(3-methoxypropoxy)ethoxy]pyrazin-2-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

COCCCOCCOC1=C(C=CC=C1Cl)/C=C/C(=O)O

DOS

IR

Vibrations