Geometry & MOs

Info

ID:	298544
PubChem CID:	117650935
Reduced:	O5C40H56 (1)
Stoich.:	A5B40C56 (1)
Weight, g/mol:	307.088768
ΔH_f, kcal/mol:	-257.35
Dipole, Da:	2.04
IP(EA), eV:	-8.37(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-chloro-8-fluoro-1-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]

Drug info:

PubChemData

Smile

CCCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4OC)C.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations