Geometry & MOs

Info

ID:	233676
PubChem CID:	91561695
Reduced:	O2P2C23H36 (1)
Stoich.:	A2B2C23D36 (1)
Weight, g/mol:	249.044467
ΔH_f, kcal/mol:	-184.48
Dipole, Da:	2.72
IP(EA), eV:	-9.26(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-boronoindole-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)P(=O)(CC2CCC[P@]2(=O)C3=CC=CC=C3)C4CCCCC4

DOS

IR

Vibrations