Geometry & MOs

Info

ID:	396708
PubChem CID:	135029058
Reduced:	OSH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	363.179856
ΔH_f, kcal/mol:	-3.59
Dipole, Da:	3.97
IP(EA), eV:	-9.07(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8aS)-3,3-difluoro-1,9-diphenyl-1,2,4a,5,6,7,8,8a-octahydrocyclopenta[b]quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C(S2)(C3=CC=CS3)O

DOS

IR

Vibrations