Geometry & MOs

Info

ID:

82763

PubChem CID:

49856482

Reduced:

F3N4O5H29C34 (1)

Stoich.:

A3B4C5D29E34 (1)

Weight, g/mol:

399.243439

ΔHf, kcal/mol:

-203.78

Dipole, Da:

6.75

IP(EA), eV:

 -9.51(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-1-[3-(cyclohexylamino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2[C@@H](C(=C(C2=O)O[C@@H](C3=CC=CC=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)C(C)C)C5=CN=C(C=C5)C(F)(F)F

DOS

IR

Vibrations