Geometry & MOs

Info

ID:	427624
PubChem CID:	135160787
Reduced:	O2N8C25H28 (1)
Stoich.:	A2B8C25D28 (1)
Weight, g/mol:	434.223038
ΔH_f, kcal/mol:	101.34
Dipole, Da:	3.42
IP(EA), eV:	-8.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-2-fluoro-3-methoxyphenyl)-6-(methylideneamino)-5-[2-(1-methylpyrazol-4-yl)ethylideneamino]-N-prop-2-enylpyridin-2-amine

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/CC=NC1=C(N=C(C=C1)N(CC2=NC=CC=N2)C3=CC(=CC(=C3)OC)OC)N=C

DOS

IR

Vibrations