Geometry & MOs

Info

ID:	193027
PubChem CID:	78337563
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	197.023669
ΔH_f, kcal/mol:	2.31
Dipole, Da:	4.61
IP(EA), eV:	-8.78(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-7-nitro-2,3a-dihydroindazol-3-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C2=CC=CC=C2C=C1)C=NN3C(=O)C4C=CC=CC4=NC3=O

DOS

IR

Vibrations