Geometry & MOs

Info

ID:

411755

PubChem CID:

135084589

Reduced:

BN2O2C16H18 (1)

Stoich.:

AB2C2D16E18 (1)

Weight, g/mol:

282.153958

ΔHf, kcal/mol:

-67.78

Dipole, Da:

7.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.068117

Charge, e:

 0

Chem-info

IUPAC name:

[(5E)-5-(3-butyl-1H-benzimidazol-2-ylidene)cyclopenta-1,3-dien-1-yl]boronic acid

Drug info:

PubChemData

Smile

B(C\1=CC=C/C1=C\2/[N-]C3=CC=CC=C3N2CCCC)(O)O

DOS

IR

Vibrations