Geometry & MOs

Info

ID:	51239
PubChem CID:	12013879
Reduced:	NO4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	286.058971
ΔH_f, kcal/mol:	-89.65
Dipole, Da:	4.71
IP(EA), eV:	-8.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(4-methoxyphenyl)methylidene]-1H-furo[2,3-d]pyrimidine-2,4,5-trione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CC(=C(C2=O)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations