Geometry & MOs

Info

ID:

82284

PubChem CID:

49855846

Reduced:

O5N8C42H44 (1)

Stoich.:

A5B8C42D44 (1)

Weight, g/mol:

339.169525

ΔHf, kcal/mol:

-84.01

Dipole, Da:

4.07

IP(EA), eV:

 -8.67(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)N=C(N6)[C@@H]7CCCN7C(=O)N(C8=CC=CC=C8)NC(=O)OC

DOS

IR

Vibrations