Geometry & MOs

Info

ID:

311956

PubChem CID:

126599438

Reduced:

O2N6C29H36 (1)

Stoich.:

A2B6C29D36 (1)

Weight, g/mol:

530.336925

ΔHf, kcal/mol:

-18.85

Dipole, Da:

8.01

IP(EA), eV:

 -8.2(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[5-[(E)-2-[4-[(E)-2-[3-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]-1,2-dihydroimidazol-4-yl]ethenyl]phenyl]ethenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)/C=C/C3=CC=C(C=C3)/C=C/C4=CN=C(N4)[C@@H]5CCCN5

DOS

IR

Vibrations