Geometry & MOs

Info

ID:

442882

PubChem CID:

135256711

Reduced:

O2N8H20C27 (1)

Stoich.:

A2B8C20D27 (1)

Weight, g/mol:

531.193135

ΔHf, kcal/mol:

150.02

Dipole, Da:

2.27

IP(EA), eV:

 -9.21(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-cyanopyridin-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CN=C(C=C2)C(=O)NCC3=CN=C(C=C3)C4=CC=CC=C4)NC5=NOC(=C5)C#N

DOS

IR

Vibrations