Geometry & MOs

Info

ID:

411221

PubChem CID:

135084034

Reduced:

NH6C9 (1)

Stoich.:

AB6C9 (1)

Weight, g/mol:

147.94274

ΔHf, kcal/mol:

124.56

Dipole, Da:

1.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.159552

Charge, e:

 0

Chem-info

IUPAC name:

1,4-oxaselenine

Drug info:

PubChemData

Smile

C1=CC2=CC=C3[N+]2=C1C=C3

DOS

IR

Vibrations