Geometry & MOs

Info

ID:	425115
PubChem CID:	135125201
Reduced:	ClON3H20C33 (1)
Stoich.:	ABC3D20E33 (1)
Weight, g/mol:	362.179442
ΔH_f, kcal/mol:	142.48
Dipole, Da:	3.06
IP(EA), eV:	-9.16(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=CC=CC(=C6)C7=CC(=CC=C7)Cl

DOS

IR

Vibrations