Geometry & MOs

Info

ID:

412376

PubChem CID:

135085267

Reduced:

ClN2H10C12 (1)

Stoich.:

AB2C10D12 (1)

Weight, g/mol:

211.099714

ΔHf, kcal/mol:

55.22

Dipole, Da:

4.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.193245

Charge, e:

 0

Chem-info

IUPAC name:

2-(cyclopenten-1-yl)-1H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1NC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations