Geometry & MOs

Info

ID:

442858

PubChem CID:

135256627

Reduced:

O2N10H26C27 (1)

Stoich.:

A2B10C26D27 (1)

Weight, g/mol:

518.19272

ΔHf, kcal/mol:

91.56

Dipole, Da:

5.37

IP(EA), eV:

 -8.81(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NC(C)C4=NC=C(N=C4)C5=CN=C(C=C5)OC

DOS

IR

Vibrations