Geometry & MOs

Info

ID:	426146
PubChem CID:	135141311
Reduced:	FSN3O3C30H32 (1)
Stoich.:	ABC3D3E30F32 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	3.84
IP(EA), eV:	-9.33(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(3-methoxy-2,2-dimethylpropyl)spiro[5,7-dihydroindazole-6,4'-oxane]-4-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC(=C1)C2=C(SC(=C2)C(=O)NC3CCOCC3)F)NC(=O)C4=CC(=C(C=C4)C)/C=C\N=C

DOS

IR

Vibrations