Geometry & MOs

Info

ID:

186785

PubChem CID:

77482307

Reduced:

O4N7C25H27 (1)

Stoich.:

A4B7C25D27 (1)

Weight, g/mol:

458.181487

ΔHf, kcal/mol:

-26.51

Dipole, Da:

9.25

IP(EA), eV:

 -8.52(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[7-(cyclopropylamino)-5-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NC3=C(C=NN23)C=C4C(=O)NC(=O)N4)C5=CC(=CC=C5)OCCN6CCOCC6

DOS

IR

Vibrations