Geometry & MOs

Info

ID:	424406
PubChem CID:	135122577
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	4.32
IP(EA), eV:	-8.8(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@H](CC1=C2CC3(CCOCC3)C=CC2=NN1)COCC4=CC=CC=C4

DOS

IR

Vibrations