Geometry & MOs

Info

ID:	80324
PubChem CID:	49834047
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	362.199428
ΔH_f, kcal/mol:	-24.33
Dipole, Da:	6.01
IP(EA), eV:	-8.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)N2)OCCCN

DOS

IR

Vibrations