Geometry & MOs

Info

ID:

168965

PubChem CID:

75046955

Reduced:

NaSeN2O2H4C6 (1)

Stoich.:

ABC2D2E4F6 (1)

Weight, g/mol:

236.071641

ΔHf, kcal/mol:

-62.2

Dipole, Da:

7.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.076381

Charge, e:

 0

Chem-info

IUPAC name:

(7-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)methanol

Drug info:

PubChemData

Smile

C1C2=C(N=C1C(=O)[O-])[Se]=CN2.[Na+]

DOS

IR

Vibrations