Geometry & MOs

Info

ID:	218049
PubChem CID:	85088791
Reduced:	NO2H10C13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	424.176248
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	3.71
IP(EA), eV:	-8.9(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C(=O)C=C(C(=O)OC)NN=C2C3=CC=CC=C3C4=CC=CC=C42

DOS

IR

Vibrations