Geometry & MOs

Info

ID:

378479

PubChem CID:

134224562

Reduced:

FO2N6C22H27 (1)

Stoich.:

AB2C6D22E27 (1)

Weight, g/mol:

358.259343

ΔHf, kcal/mol:

-45.82

Dipole, Da:

10.48

IP(EA), eV:

 -8.92(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

Drug info:

PubChemData

Smile

CC1(CNC(=O)C2=C3N=C(C=CN3N=C2)N4CCC[C@@H]4C5(CC(=CN=C5OC1)F)C)C

DOS

IR

Vibrations