Geometry & MOs

Info

ID:	1785
PubChem CID:	5048
Reduced:	N2O2C15H17 (2)
Stoich.:	A2B2C15D17 (2)
Weight, g/mol:	514.258006
ΔH_f, kcal/mol:	-131.25
Dipole, Da:	5.51
IP(EA), eV:	-8.45(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-6-[5-hydroxy-1,3-dioxo-6-(piperidin-1-ylmethyl)benzo[de]isoquinolin-2-yl]hexanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCCCCC(=O)NC5=CC=CC=C5N)O

DOS

IR

Vibrations