Geometry & MOs

Info

ID:	398499
PubChem CID:	135033520
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-38.42
Dipole, Da:	2.2
IP(EA), eV:	-9.46(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(R)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(CCC(=C)C1=CC=CC=C1)O

DOS

IR

Vibrations