Geometry & MOs

Info

ID:

163565

PubChem CID:

58036441

Reduced:

BN4H18C19 (1)

Stoich.:

AB4C18D19 (1)

Weight, g/mol:

475.209402

ΔHf, kcal/mol:

86.18

Dipole, Da:

5.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.772277

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N(C2=CC=CC=C2N1C(C)C)C3=NC=C(C=C3)C4=CC=NC=C4

DOS

IR

Vibrations