Geometry & MOs

Info

ID:	21029
PubChem CID:	586846
Reduced:	ClON2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	328.134241
ΔH_f, kcal/mol:	-4.48
Dipole, Da:	4.49
IP(EA), eV:	-9.36(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloroquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1CN2CCC1CC2C(=O)C3=CC(=NC4=CC=CC=C43)Cl

DOS

IR

Vibrations