Geometry & MOs

Info

ID:

442925

PubChem CID:

135256929

Reduced:

FON9H26C28 (1)

Stoich.:

ABC9D26E28 (1)

Weight, g/mol:

539.219349

ΔHf, kcal/mol:

63.59

Dipole, Da:

12.2

IP(EA), eV:

 -8.89(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-methoxypyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(=O)NCC2=CN=C(C=C2)C3=C(N=CC(=C3)F)C)C4=NC(=CC(=N4)NC5=NNC(=C5)C)C

DOS

IR

Vibrations