Geometry & MOs

Info

ID:

442911

PubChem CID:

135256861

Reduced:

FON9H28C29 (1)

Stoich.:

ABC9D28E29 (1)

Weight, g/mol:

512.219684

ΔHf, kcal/mol:

63.2

Dipole, Da:

7.55

IP(EA), eV:

 -8.87(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NC(C)C4=CN=C(C=C4)C5=C(N=CC(=C5)F)C

DOS

IR

Vibrations