Geometry & MOs

Info

ID:	425395
PubChem CID:	135126183
Reduced:	SF2O2N5H23C24 (1)
Stoich.:	AB2C2D5E23F24 (1)
Weight, g/mol:	386.235814
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	6.16
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-methylquinolin-3-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]

Drug info:

PubChemData

Smile

CCC(=O)N1C[C@H]2CSC(=N[C@]2(C1)C3=C(C=CC(=C3)/C=C(/C4=CN=C(C=N4)OCC#C)\F)F)N

DOS

IR

Vibrations