Geometry & MOs

Info

ID:	57846
PubChem CID:	24277729
Reduced:	O3N4H8C11 (1)
Stoich.:	A3B4C8D11 (1)
Weight, g/mol:	248.034568
ΔH_f, kcal/mol:	-10.42
Dipole, Da:	10.2
IP(EA), eV:	-9.7(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=NC2=O)C(=NN3)C(=O)O

DOS

IR

Vibrations