Geometry & MOs

Info

ID:	334423
PubChem CID:	127252975
Reduced:	BrON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	418.105253
ΔH_f, kcal/mol:	6.45
Dipole, Da:	4.44
IP(EA), eV:	-8.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCC3=C(C2)C4=C(N3)C(=CC=C4)Br)C

DOS

IR

Vibrations