Geometry & MOs

Info

ID:

382406

PubChem CID:

134973541

Reduced:

NO2H12C13 (1)

Stoich.:

AB2C12D13 (1)

Weight, g/mol:

134.10955

ΔHf, kcal/mol:

-13.86

Dipole, Da:

7.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.120139

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-2-ethenyl-1-methylbicyclo[3.2.0]hept-2-ene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)[OH2+]

DOS

IR

Vibrations