Geometry & MOs

Info

ID:	402990
PubChem CID:	135058202
Reduced:	BClNO2C21H21 (1)
Stoich.:	ABCD2E21F21 (1)
Weight, g/mol:	387.275219
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	4.07
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC=N4)Cl

DOS

IR

Vibrations