Geometry & MOs

Info

ID:	80495
PubChem CID:	49834768
Reduced:	FN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	380.190006
ΔH_f, kcal/mol:	-65.03
Dipole, Da:	5.48
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-3-phenyl-4-(3-piperidin-1-ylpropoxy)-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=C(C(=CC=C3)F)C(=O)N2)OCCN

DOS

IR

Vibrations