Geometry & MOs

Info

ID:	248453
PubChem CID:	103081732
Reduced:	NOCl3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	3.64
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-(quinolin-8-ylmethyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=C(C=CC(=C2Cl)Cl)Cl

DOS

IR

Vibrations