Geometry & MOs

Info

ID:

139434

PubChem CID:

52530872

Reduced:

NO2C19H28 (1)

Stoich.:

AB2C19D28 (1)

Weight, g/mol:

301.204179

ΔHf, kcal/mol:

-67.14

Dipole, Da:

2.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.210397

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine

Drug info:

PubChemData

Smile

C1CCC(CC1)C[NH+]2CCC[C@@H]2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations