Geometry & MOs

Info

ID:

427638

PubChem CID:

135160865

Reduced:

FON8H23C24 (1)

Stoich.:

ABC8D23E24 (1)

Weight, g/mol:

519.23425

ΔHf, kcal/mol:

83.59

Dipole, Da:

6.53

IP(EA), eV:

 -8.77(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]anilino)ethyl N'-(2-hydroxyethyl)-N-(methylideneamino)carbamimidate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)OC)F)N(CC2=CN=CN2)C3=NC4=NC(=CN=C4C=C3)C5=CN(N=C5)C

DOS

IR

Vibrations