Geometry & MOs

Info

ID:

163574

PubChem CID:

58036657

Reduced:

BN3H13C14 (1)

Stoich.:

AB3C13D14 (1)

Weight, g/mol:

544.06825

ΔHf, kcal/mol:

79.75

Dipole, Da:

1.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.790155

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N(C=CN1C2=NC=C(C=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations