Geometry & MOs

Info

ID:

442888

PubChem CID:

135256782

Reduced:

FO2N8H25C29 (1)

Stoich.:

AB2C8D25E29 (1)

Weight, g/mol:

493.197471

ΔHf, kcal/mol:

7.49

Dipole, Da:

5.45

IP(EA), eV:

 -9.59(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(6-methoxypyridin-3-yl)pyridin-3-yl]methyl]-5-[4-methyl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NC(C)C3=CN=C(C=C3)C4=C(N=CC(=C4)F)C)NC5=CC(=O)NC=C5

DOS

IR

Vibrations