Geometry & MOs

Info

ID:	317228
PubChem CID:	126634547
Reduced:	FSO2N3C32H36 (1)
Stoich.:	ABC2D3E32F36 (1)
Weight, g/mol:	347.226057
ΔH_f, kcal/mol:	-56.33
Dipole, Da:	2.77
IP(EA), eV:	-8.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9bS)-8-butoxy-4-cyclohexyl-6-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCCNC(C2=CC=C(C=C2)/C=C\3/C(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5F)O

DOS

IR

Vibrations