Geometry & MOs

Info

ID:	341442
PubChem CID:	127264135
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	258.153958
ΔH_f, kcal/mol:	-43.08
Dipole, Da:	2.05
IP(EA), eV:	-8.66(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OC)N[C@H]2CCCC23CCNCC3

DOS

IR

Vibrations