Geometry & MOs

Info

ID:	80496
PubChem CID:	49834769
Reduced:	FN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	338.143056
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	5.87
IP(EA), eV:	-8.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-3-phenyl-4-piperidin-4-yloxy-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCOC2=C(NC(=O)C3=C2C=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations