Geometry & MOs

Info

ID:	80332
PubChem CID:	49834065
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	394.205656
ΔH_f, kcal/mol:	0.53
Dipole, Da:	4.6
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-5-methyl-3-phenyl-4-(3-piperidin-1-ylpropoxy)-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2=CN=C(C=C2)N3CCCCC3

DOS

IR

Vibrations