Geometry & MOs

Info

ID:

325556

PubChem CID:

126683954

Reduced:

O5N7C23H35 (1)

Stoich.:

A5B7C23D35 (1)

Weight, g/mol:

494.239001

ΔHf, kcal/mol:

-166.97

Dipole, Da:

3.29

IP(EA), eV:

 -8.75(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(5-amino-6-carbamoylpyridin-2-yl)piperidin-1-yl]-N-(1-bicyclo[2.1.0]pent-3-enyl)-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](COC)OC1=NC(=CC(=N1)N2CCC(CC2)C3=NC(=C(C=C3)N)C(=O)N)C(NCCOC)O

DOS

IR

Vibrations