Geometry & MOs

Info

ID:	410278
PubChem CID:	135083069
Reduced:	N2O7C24H24 (1)
Stoich.:	A2B7C24D24 (1)
Weight, g/mol:	235.174359
ΔH_f, kcal/mol:	-232.54
Dipole, Da:	2.19
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1H-pyrrole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC(=CC(=C2O)C3=C(C=CC(=C3)CC(C(=O)O)N)O)CC(C(=O)O)N

DOS

IR

Vibrations