Geometry & MOs

Info

ID:	177010
PubChem CID:	76125512
Reduced:	NPO8C41H78 (1)
Stoich.:	ABC8D41E78 (1)
Weight, g/mol:	502.231516
ΔH_f, kcal/mol:	-535.97
Dipole, Da:	2.9
IP(EA), eV:	-9.5(-0.6)
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)methyl] 3,4,5,6-tetrahydroxy-2-oxohexanoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)C(C(COP(=O)(O)OCCN)O)(C(=O)CCCCCCCC=CCCCCCCCC)O

DOS

IR

Vibrations