Geometry & MOs

Info

ID:	427664
PubChem CID:	135161068
Reduced:	FON8C26H29 (1)
Stoich.:	ABC8D26E29 (1)
Weight, g/mol:	470.207782
ΔH_f, kcal/mol:	117.35
Dipole, Da:	5.62
IP(EA), eV:	-8.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[6-[2-fluoro-N-(2-hydroxyethyl)-3,5-dimethoxyanilino]-2-(methylideneamino)pyridin-3-yl]iminoethyl]pyrazol-1-yl]ethanol

Drug info:

PubChemData

Smile

CCC1=CC(=C(CC(=C1)N(CC2=NC=CN2)C3=NC(=NC(=CN=CC=C3)C4=CN(N=C4)C)C)F)OC

DOS

IR

Vibrations