Geometry & MOs

Info

ID:

189381

PubChem CID:

77847785

Reduced:

OF2N7H23C25 (1)

Stoich.:

AB2C7D23E25 (1)

Weight, g/mol:

452.188464

ΔHf, kcal/mol:

25.46

Dipole, Da:

7.53

IP(EA), eV:

 -8.94(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-2-(2,4-difluorophenyl)-3-(2-pyrimidin-5-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN4C=C(N=C4C3)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations