Geometry & MOs

Info

ID:

427630

PubChem CID:

135160841

Reduced:

O3N9C25H27 (1)

Stoich.:

A3B9C25D27 (1)

Weight, g/mol:

506.219015

ΔHf, kcal/mol:

75.44

Dipole, Da:

4.21

IP(EA), eV:

 -8.48(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[3-ethenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(2-fluoro-3,5-dimethoxyphenyl)-N-[[1-(2-hydroxyethyl)imidazol-2-yl]methyl]methanimidamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=NC3=N2)N(CC4=NN(C=N4)CCOC)C5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations