Geometry & MOs

Info

ID:

322646

PubChem CID:

126670718

Reduced:

N3C16H20 (2)

Stoich.:

A3B16C20 (2)

Weight, g/mol:

470.259423

ΔHf, kcal/mol:

161.96

Dipole, Da:

2.72

IP(EA), eV:

 -8.34(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N'-[(5E,7Z)-6-fluoro-10-phenyl-1-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]deca-5,7-dien-1,3-diyn-5-yl]pyrrolidine-2-carboximidamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)CC/C=C\C=C(\C#CC#CC2=CN=C(N2)[C@@H]3CCCN3)/N=C([C@@H]4CCCN4)N

DOS

IR

Vibrations