Geometry & MOs

Info

ID:

391760

PubChem CID:

135009312

Reduced:

C2H3N4 (1)

Stoich.:

A2B3C4 (1)

Weight, g/mol:

390.157957

ΔHf, kcal/mol:

103.07

Dipole, Da:

1.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.802615

Charge, e:

 0

Chem-info

IUPAC name:

9-anilino-7,10-dimethoxy-5-(methoxymethyl)phenanthridin-6-one

Drug info:

PubChemData

Smile

C(=N)=NN=[C+]N

DOS

IR

Vibrations