Geometry & MOs

Info

ID:

181534

PubChem CID:

76757442

Reduced:

BrO2N7H20C21 (1)

Stoich.:

AB2C7D20E21 (1)

Weight, g/mol:

469.197471

ΔHf, kcal/mol:

50.73

Dipole, Da:

8.26

IP(EA), eV:

 -8.84(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-(cyclopropylamino)-2-[[2-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)NC2=NC3=C(C=NN3C(=N2)NC4CC4)C=C5CC(=O)NC5=O

DOS

IR

Vibrations