Geometry & MOs

Info

ID:

442890

PubChem CID:

135256784

Reduced:

FON9H22C26 (1)

Stoich.:

ABC9D22E26 (1)

Weight, g/mol:

511.188049

ΔHf, kcal/mol:

82.72

Dipole, Da:

8.24

IP(EA), eV:

 -9.19(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]-3-methyl-5-[4-methyl-6-(1,2,4-oxadiazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=C(N=CC(=C4)F)C)NC5=CC=NN5

DOS

IR

Vibrations