Geometry & MOs

Info

ID:	335161
PubChem CID:	127254022
Reduced:	ClNO5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	478.200491
ΔH_f, kcal/mol:	-106.95
Dipole, Da:	1.93
IP(EA), eV:	-8.63(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4CC5CC4C=C5

DOS

IR

Vibrations