Geometry & MOs

Info

ID:	190013
PubChem CID:	77941685
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	421.270802
ΔH_f, kcal/mol:	-74.45
Dipole, Da:	2.61
IP(EA), eV:	-9.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl-[3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.2]octan-2-yl]borinic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2CCOC2

DOS

IR

Vibrations