Geometry & MOs

Info

ID:	999
PubChem CID:	3649
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-54.57
Dipole, Da:	4.9
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations