Geometry & MOs

Info

ID:	340807
PubChem CID:	127263242
Reduced:	ClN2O2C6H7 (1)
Stoich.:	AB2C2D6E7 (1)
Weight, g/mol:	311.107005
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	4.3
IP(EA), eV:	-10.62(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-[4-(hydroxyamino)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

Drug info:

PubChemData

Smile

COC(=O)C1=NC=CN=C1.Cl

DOS

IR

Vibrations