Geometry & MOs

Info

ID:

88615

PubChem CID:

49955740

Reduced:

Cl2N2O2C15H15 (1)

Stoich.:

A2B2C2D15E15 (1)

Weight, g/mol:

308.141732

ΔHf, kcal/mol:

-71.49

Dipole, Da:

2.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.956469

Charge, e:

 -1

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine;chloride

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C2=C3C=CC(=CC3=NC=C2)Cl.[Cl-]

DOS

IR

Vibrations