Geometry & MOs

Info

ID:

233678

PubChem CID:

91562346

Reduced:

ON4C21H25 (1)

Stoich.:

AB4C21D25 (1)

Weight, g/mol:

260.250401

ΔHf, kcal/mol:

113.82

Dipole, Da:

2.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.855199

Charge, e:

 0

Chem-info

IUPAC name:

2,3,3a,9b-tetrahydro-1H-phenalene;ethane

Drug info:

PubChemData

Smile

CCC(=CC)OC1=CC=CC(=C1)N(C2CCC2)[N+]34C=CN=CC3=CN=C4

DOS

IR

Vibrations