Geometry & MOs

Info

ID:

448194

PubChem CID:

135289147

Reduced:

FON6H27C34 (1)

Stoich.:

ABC6D27E34 (1)

Weight, g/mol:

371.232125

ΔHf, kcal/mol:

133.03

Dipole, Da:

6.95

IP(EA), eV:

 -8.5(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3aS,6aS)-5-[ethyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC(=C6)CNCC7=CC=CC=C7)NN4)/C=C32)F

DOS

IR

Vibrations