Geometry & MOs

Info

ID:	146939
PubChem CID:	53774825
Reduced:	NCl4O4C23H31 (1)
Stoich.:	AB4C4D23E31 (1)
Weight, g/mol:	208.076726
ΔH_f, kcal/mol:	-133.36
Dipole, Da:	2.55
IP(EA), eV:	-8.7(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloropyridin-3-yl)-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1OCCCCOCCC=NOCC=C(Cl)Cl)CC)OCC=C(Cl)Cl

DOS

IR

Vibrations