Geometry & MOs

Info

ID:

427138

PubChem CID:

135155681

Reduced:

ON6F10H24C29 (1)

Stoich.:

AB6C10D24E29 (1)

Weight, g/mol:

511.269573

ΔHf, kcal/mol:

-457.44

Dipole, Da:

12.32

IP(EA), eV:

 -9.7(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-(2-methylpropyl)-5-phenyl-3-[[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]imidazol-4-one

Drug info:

PubChemData

Smile

C1C2=CN=C(N=C2CN1C(=O)C3=C(C=CC(=C3)CN4C[C@@](N=C4N)(CCCC(F)(F)F)C5=CC=C(C=C5)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations