Geometry & MOs

Info

ID:

84658

PubChem CID:

49869169

Reduced:

N4O13C54H104 (1)

Stoich.:

A4B13C54D104 (1)

Weight, g/mol:

388.169939

ΔHf, kcal/mol:

-713.37

Dipole, Da:

4.23

IP(EA), eV:

 -8.5(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-methyl-2-(pyridin-3-ylmethyl)imidazol-4-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCNNC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C

DOS

IR

Vibrations