Geometry & MOs

Info

ID:	336653
PubChem CID:	127255660
Reduced:	BN3O4C22H36 (1)
Stoich.:	AB3C4D22E36 (1)
Weight, g/mol:	417.279887
ΔH_f, kcal/mol:	-255.06
Dipole, Da:	3.86
IP(EA), eV:	-9.25(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-5-azaspiro[3.5]nonane-5-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CC4(C3)CCCN(C4)C(=O)OC(C)(C)C

DOS

IR

Vibrations