Geometry & MOs

Info

ID:	335149
PubChem CID:	127254010
Reduced:	N5O5H19C22 (1)
Stoich.:	A5B5C19D22 (1)
Weight, g/mol:	444.132136
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	4.61
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CNN=C5)OC

DOS

IR

Vibrations