Geometry & MOs

Info

ID:

391744

PubChem CID:

135009166

Reduced:

NO2H6C9 (1)

Stoich.:

AB2C6D9 (1)

Weight, g/mol:

169.092521

ΔHf, kcal/mol:

2.34

Dipole, Da:

4.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.074169

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-(dimethylamino)ethyl]cyclopenta-1,3-diene-1-thiol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(OC2=[OH+])C#N

DOS

IR

Vibrations