Geometry & MOs

Info

ID:	441605
PubChem CID:	135236994
Reduced:	O6C29H48 (1)
Stoich.:	A6B29C48 (1)
Weight, g/mol:	628.240518
ΔH_f, kcal/mol:	-319.35
Dipole, Da:	3.88
IP(EA), eV:	-8.44(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-[3-(4-fluorophenyl)-1-tritylindazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C(CC1=CC(=C(C=C1)O)OCCC)C(=O)OCC(CC)CCCC

DOS

IR

Vibrations