Geometry & MOs

Info

ID:

7467

PubChem CID:

72797

Reduced:

N2H13C14 (1)

Stoich.:

A2B13C14 (1)

Weight, g/mol:

209.107873

ΔHf, kcal/mol:

64.79

Dipole, Da:

1.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.283300

Charge, e:

 1

Chem-info

IUPAC name:

1,6-dimethyl-1,10-phenanthrolin-1-ium

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C1C=CC=N3)[N+](=CC=C2)C

DOS

IR

Vibrations