Geometry & MOs

Info

ID:	315274
PubChem CID:	126625367
Reduced:	NO4C35H35 (1)
Stoich.:	AB4C35D35 (1)
Weight, g/mol:	449.197551
ΔH_f, kcal/mol:	-63.06
Dipole, Da:	3.81
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1COC(=O)C(C2=CC=CC=C2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)C=O)CC5=CC=CC=C5

DOS

IR

Vibrations