Geometry & MOs

Info

ID:	341331
PubChem CID:	127264024
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	274.174025
ΔH_f, kcal/mol:	-69.01
Dipole, Da:	4.32
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=N3

DOS

IR

Vibrations