Geometry & MOs

Info

ID:	287424
PubChem CID:	104241949
Reduced:	ClON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	245.097127
ΔH_f, kcal/mol:	-0.21
Dipole, Da:	1.74
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-cyclopentyl-6-methylquinoline

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)C3CCCC3

DOS

IR

Vibrations