Geometry & MOs

Info

ID:	324955
PubChem CID:	126678918
Reduced:	ClO3N6C16H17 (1)
Stoich.:	AB3C6D16E17 (1)
Weight, g/mol:	454.137651
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	2.66
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(5-fluoro-2-methoxypyridin-4-yl)-2-(trifluoromethoxy)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=C(C=C1)Cl)COC2=CC(=NC3=NNN=C23)N)O

DOS

IR

Vibrations