Geometry & MOs

Info

ID:	445699
PubChem CID:	135268985
Reduced:	FO4N6H25C26 (1)
Stoich.:	AB4C6D25E26 (1)
Weight, g/mol:	459.15291
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	8.23
IP(EA), eV:	-8.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-5-(thieno[2,3-d]pyridazin-4-ylmethyl)phenyl]-[2-(methylideneamino)-4-morpholin-4-ylphenyl]methanimine

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)OC)C(=O)N

DOS

IR

Vibrations