Geometry & MOs

Info

ID:	40472
PubChem CID:	8144196
Reduced:	OSN5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	278.094782
ΔH_f, kcal/mol:	70.05
Dipole, Da:	5.87
IP(EA), eV:	-8.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S,7aS)-3-chloro-6,7a-dimethyl-5-phenyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-6-ium-2-one

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations