Geometry & MOs

Info

ID:

183014

PubChem CID:

76968707

Reduced:

F3O7C26H35 (1)

Stoich.:

A3B7C26D35 (1)

Weight, g/mol:

584.387898

ΔHf, kcal/mol:

-447.78

Dipole, Da:

5.89

IP(EA), eV:

 -9.48(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-benzo[b][1]benzazepin-11-yl-N,N,2-trimethylpropan-1-amine;(2S)-3-benzo[b][1]benzazepin-11-yl-N,N,2-trimethylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1[C@H]2[C@@H](O2)[C@H](COC3=CC=CC(=C3)C(F)(F)F)O)O)O

DOS

IR

Vibrations