Geometry & MOs

Info

ID:	334451
PubChem CID:	127253003
Reduced:	NO3H11C13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	401.126323
ΔH_f, kcal/mol:	-117.04
Dipole, Da:	4.81
IP(EA), eV:	-8.28(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(furan-2-yl)ethyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=NC=CC(=C5OC)OC)OC

DOS

IR

Vibrations