Geometry & MOs

Info

ID:

49270

PubChem CID:

11532528

Reduced:

ClON5C25H30 (1)

Stoich.:

ABC5D25E30 (1)

Weight, g/mol:

452.264822

ΔHf, kcal/mol:

33.07

Dipole, Da:

4.74

IP(EA), eV:

 -8.78(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-(2-ethoxyethyl)-N-(6-ethylpyridin-2-yl)-3-(methoxymethyl)pyrazolo[4,3-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)NC2CCC(CC2)(CC3=CC(=CC=C3)Cl)N(C)C)C4=CC=CC=C4

DOS

IR

Vibrations