Geometry & MOs

Info

ID:

427349

PubChem CID:

135157486

Reduced:

FO3N6C23H25 (1)

Stoich.:

AB3C6D23E25 (1)

Weight, g/mol:

507.239416

ΔHf, kcal/mol:

-23.52

Dipole, Da:

3.98

IP(EA), eV:

 -8.56(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-fluoro-3,5-dimethoxyphenyl)-N'-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]prop-2-enimidamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=NC3=N2)N(CCCOC)C4=C(C(=CC(=C4)OC)OC)F

DOS

IR

Vibrations