Geometry & MOs

Info

ID:	164945
PubChem CID:	74476573
Reduced:	FN3O5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	317.03829
ΔH_f, kcal/mol:	-161.25
Dipole, Da:	11.4
IP(EA), eV:	-8.6(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-6-oxo-8aH-pyrimido[4,5-e][1,2,4]triazin-8-olate

Drug info:

PubChemData

Smile

C1CC(OC1)CN(CC2C=C3C=C4C(=CC3=NC2=O)OCO4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations