Geometry & MOs

Info

ID:	7211
PubChem CID:	71542
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-61.5
Dipole, Da:	5.22
IP(EA), eV:	-8.66(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethoxyquinolin-4-yl)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol

Drug info:

PubChemData

Smile

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCC)O

DOS

IR

Vibrations