Geometry & MOs

Info

ID:	20999
PubChem CID:	586692
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-62.12
Dipole, Da:	6.31
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN2CCC1CC2C(C3=CC(=NC4=C3C=C(C=C4)OC)Cl)O

DOS

IR

Vibrations