Geometry & MOs

Info

ID:

391931

PubChem CID:

135011128

Reduced:

NO4C16H20 (1)

Stoich.:

AB4C16D20 (1)

Weight, g/mol:

289.131408

ΔHf, kcal/mol:

-139.72

Dipole, Da:

4.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.065330

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 3,4,6,10b-tetrahydro-2H-pyrido[2,1-a]isoindole-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C(CCC[N+]1=CC2=CC=CC=C2C1)C(=O)OC

DOS

IR

Vibrations