Geometry & MOs

Info

ID:	665
PubChem CID:	3164
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	3.97
IP(EA), eV:	-8.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCCOC2CNC(=O)C3=CC=CC=C23

DOS

IR

Vibrations