Geometry & MOs

Info

ID:	412268
PubChem CID:	135085152
Reduced:	C4H5 (2)
Stoich.:	A4B5 (2)
Weight, g/mol:	688.355946
ΔH_f, kcal/mol:	44.54
Dipole, Da:	0.28
IP(EA), eV:	-9.45(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[(S)-[(4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea

Drug info:

PubChemData

Smile

C1C=CCC2[C@@H]1C=C2

DOS

IR

Vibrations