Geometry & MOs

Info

ID:	411740
PubChem CID:	135084574
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	651.303182
ΔH_f, kcal/mol:	6.83
Dipole, Da:	2.48
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]-3-[(S)-[(4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CCC12CN3CCC1CC3[C@@H](O2)C4=C5C=C(C=CC5=NC=C4)OCC6=CC=CC=C6

DOS

IR

Vibrations