Geometry & MOs

Info

ID:	256501
PubChem CID:	103139613
Reduced:	ClFNOH11C16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	1.69
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-isoquinolin-8-ylpiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=C(C=C3)F)Cl)O

DOS

IR

Vibrations