Geometry & MOs

Info

ID:

186787

PubChem CID:

77483134

Reduced:

ON2H4C5 (4)

Stoich.:

AB2C4D5 (4)

Weight, g/mol:

434.19272

ΔHf, kcal/mol:

36.32

Dipole, Da:

8.2

IP(EA), eV:

 -8.77(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-(cyclopropylamino)-2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OC2=NC3=C(C=NN3C(=N2)NC4CC4)C=C5C(=O)NC(=O)N5

DOS

IR

Vibrations