Geometry & MOs

Info

ID:

442896

PubChem CID:

135256791

Reduced:

O2N7H21C26 (1)

Stoich.:

A2B7C21D26 (1)

Weight, g/mol:

555.230663

ΔHf, kcal/mol:

109.87

Dipole, Da:

6.12

IP(EA), eV:

 -9.17(-1.38)

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-[1-[6-(5-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]ethyl]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

DOS

IR

Vibrations