Geometry & MOs

Info

ID:

128256

PubChem CID:

51036905

Reduced:

ClO2N7H24C27 (1)

Stoich.:

AB2C7D24E27 (1)

Weight, g/mol:

513.168001

ΔHf, kcal/mol:

58.35

Dipole, Da:

10.04

IP(EA), eV:

 -8.62(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[[5-[3-[(3-chlorophenyl)methylamino]-5-(cyclopropylamino)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=CC=C(C=C6)Cl

DOS

IR

Vibrations