Geometry & MOs

Info

ID:	393668
PubChem CID:	135021456
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	455.173273
ΔH_f, kcal/mol:	71.81
Dipole, Da:	5.7
IP(EA), eV:	-8.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-7-methyl-1-[(6-methyl-4-oxochromen-3-yl)methylidene]-3-pentyliminofuro[3,4-b]chromen-9-one

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=C(N=N1)C2=CC=CC=C2)C#CC3=CC=CC=C3

DOS

IR

Vibrations