Geometry & MOs

Info

ID:	425008
PubChem CID:	135124824
Reduced:	FNO5C33H34 (1)
Stoich.:	ABC5D33E34 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	-158.03
Dipole, Da:	3.27
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CC(CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CN=C(C=C4C)OCC5(COC5)C

DOS

IR

Vibrations