Geometry & MOs

Info

ID:

181532

PubChem CID:

76757148

Reduced:

N2O8C25H33 (2)

Stoich.:

A2B8C25D33 (2)

Weight, g/mol:

436.141452

ΔHf, kcal/mol:

-688.28

Dipole, Da:

6.52

IP(EA), eV:

 -9.57(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-[1-(3-chlorophenyl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1CC(OC2(O1)CC(N(C2)C(=O)C(C(C)C)NC(=O)OC)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)COC(=O)C5CC6(CN5C(=O)C(C(C)C)NC(=O)OC)OC(CC(O6)C)C)C

DOS

IR

Vibrations