Geometry & MOs

Info

ID:

442871

PubChem CID:

135256698

Reduced:

FON10H25C27 (1)

Stoich.:

ABC10D25E27 (1)

Weight, g/mol:

508.244756

ΔHf, kcal/mol:

114.1

Dipole, Da:

7.0

IP(EA), eV:

 -8.89(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CC(=C(N=C3)C(=O)NCC4=CN=C(C=C4)N5C=CC(=N5)C6CC6)F

DOS

IR

Vibrations