Geometry & MOs

Info

ID:	336652
PubChem CID:	127255659
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	417.279887
ΔH_f, kcal/mol:	-73.25
Dipole, Da:	4.64
IP(EA), eV:	-10.93(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-6-azaspiro[3.5]nonane-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(C=NC=C1)[N+](=O)[O-]

DOS

IR

Vibrations