Geometry & MOs

Info

ID:	402989
PubChem CID:	135058199
Reduced:	BClN2O2C15H22 (1)
Stoich.:	ABC2D2E15F22 (1)
Weight, g/mol:	365.135387
ΔH_f, kcal/mol:	-133.52
Dipole, Da:	6.71
IP(EA), eV:	-8.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]pyridine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)Cl)/C=N/N(C)C

DOS

IR

Vibrations