Geometry & MOs

Info

ID:

299669

PubChem CID:

117688443

Reduced:

FN5O6C25H28 (1)

Stoich.:

AB5C6D25E28 (1)

Weight, g/mol:

511.223097

ΔHf, kcal/mol:

-221.07

Dipole, Da:

13.18

IP(EA), eV:

 -9.22(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(cyclopropylmethoxy)-5-fluorophenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl] N-[1-(2-methoxyacetyl)piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=CC(=C(C=C3OCC4CC4)OC)F)C(=O)NC5CCN(CC5O)C(=O)O

DOS

IR

Vibrations