Geometry & MOs

Info

ID:

163566

PubChem CID:

58036445

Reduced:

BN4H24C32 (1)

Stoich.:

AB4C24D32 (1)

Weight, g/mol:

371.0581

ΔHf, kcal/mol:

159.42

Dipole, Da:

4.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.443564

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N(CCN1C2=NC=C(C=C2)C3=CC4=CC=CC=C4C=C3)C5=NC=C(C=C5)C6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations