Geometry & MOs

Info

ID:

49673

PubChem CID:

11533506

Reduced:

N5F6H21C25 (1)

Stoich.:

A5B6C21D25 (1)

Weight, g/mol:

505.277693

ΔHf, kcal/mol:

-201.7

Dipole, Da:

9.79

IP(EA), eV:

 -9.17(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-ethyl-5-N-methyl-7-N-(4-methylphenyl)-5-N-(1-methylpiperidin-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations