Geometry & MOs

Info

ID:

128254

PubChem CID:

51036903

Reduced:

ClFO2N7H23C27 (1)

Stoich.:

ABC2D7E23F27 (1)

Weight, g/mol:

539.228102

ΔHf, kcal/mol:

10.13

Dipole, Da:

11.62

IP(EA), eV:

 -8.74(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=CC(=C2)NC3=NC4=C(C=NN4C=C3)/C=C\5/CC(=O)NC5=O)NCC6=C(C=C(C=C6)F)Cl

DOS

IR

Vibrations