Geometry & MOs

Info

ID:	335929
PubChem CID:	127254936
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	355.132077
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	2.47
IP(EA), eV:	-8.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-pyrazol-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)NC(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations