Geometry & MOs

Info

ID:	425121
PubChem CID:	135125223
Reduced:	N3O3F4H13C18 (1)
Stoich.:	A3B3C4D13E18 (1)
Weight, g/mol:	366.113506
ΔH_f, kcal/mol:	-202.69
Dipole, Da:	4.53
IP(EA), eV:	-9.74(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(8-chloroquinolin-7-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

Drug info:

PubChemData

Smile

C1C(CC1OC2=NC=C(C=C2)C3=CC(=O)NO3)C4=C(C=C(C=N4)C(F)(F)F)F

DOS

IR

Vibrations