Geometry & MOs

Info

ID:	51241
PubChem CID:	12013883
Reduced:	NO3H5C7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	300.038236
ΔH_f, kcal/mol:	-173.97
Dipole, Da:	5.54
IP(EA), eV:	-9.02(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)C3=C(O2)NC(=O)NC3=O)O

DOS

IR

Vibrations