Geometry & MOs

Info

ID:	425261
PubChem CID:	135125705
Reduced:	ClF4N4O5C27H29 (1)
Stoich.:	AB4C4D5E27F29 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-342.81
Dipole, Da:	2.61
IP(EA), eV:	-9.37(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(C(C(OC(=N1)N)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(F)F)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)Cl)\F)F

DOS

IR

Vibrations