Geometry & MOs

Info

ID:	186313
PubChem CID:	77419478
Reduced:	F2O2N3H19C22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	276.071034
ΔH_f, kcal/mol:	-51.11
Dipole, Da:	3.86
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,4-difluorophenyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=NN(C3=C2CC4C3C4)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations