Geometry & MOs

Info

ID:

128255

PubChem CID:

51036904

Reduced:

O4N7C29H29 (1)

Stoich.:

A4B7C29D29 (1)

Weight, g/mol:

513.168001

ΔHf, kcal/mol:

-12.86

Dipole, Da:

6.35

IP(EA), eV:

 -8.34(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[[5-[3-[(4-chlorophenyl)methylamino]-5-(cyclopropylamino)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CNC2=CC(=CC(=C2)NC3CC3)NC4=NC5=C(C=NN5C=C4)/C=C\6/CC(=O)NC6=O)OC

DOS

IR

Vibrations