Geometry & MOs

Info

ID:	334158
PubChem CID:	127252710
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	466.068867
ΔH_f, kcal/mol:	-55.97
Dipole, Da:	5.85
IP(EA), eV:	-8.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC(=CC=C5)O

DOS

IR

Vibrations