Geometry & MOs

Info

ID:	231524
PubChem CID:	87574029
Reduced:	ClON5C29H32 (1)
Stoich.:	ABC5D29E32 (1)
Weight, g/mol:	178.043739
ΔH_f, kcal/mol:	52.85
Dipole, Da:	3.93
IP(EA), eV:	-8.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-diformylphenyl)boronic acid

Drug info:

PubChemData

Smile

CC1=CNC2=NC=C(C(=C12)N3CCN(CC3)C(CC(CC4=CC=C(C=C4)Cl)C=O)N)C5=CC=CC=C5

DOS

IR

Vibrations