Geometry & MOs

Info

ID:	141812
PubChem CID:	52931858
Reduced:	O2N5C29H43 (1)
Stoich.:	A2B5C29D43 (1)
Weight, g/mol:	426.192218
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	2.92
IP(EA), eV:	-8.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[4-[[3-[1-[(4-boronophenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C(=O)N[C@H](C(C2CCCCC2)C3CCCCC3)C(=O)NCC4=CN=C5C(=C4)C=CN5

DOS

IR

Vibrations