Geometry & MOs

Info

ID:

395158

PubChem CID:

135024792

Reduced:

N2O4C12H13 (1)

Stoich.:

A2B4C12D13 (1)

Weight, g/mol:

245.095297

ΔHf, kcal/mol:

-81.24

Dipole, Da:

5.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.835919

Charge, e:

 0

Chem-info

IUPAC name:

5-phenyl-1H-imidazo[4,5-c]isoquinoline

Drug info:

PubChemData

Smile

CCO/C(=C(/C1=CC=C(C=C1)C(=O)OC)\[N+]#N)/O

DOS

IR

Vibrations