Geometry & MOs

Info

ID:	320157
PubChem CID:	126658499
Reduced:	ClOF3N5H17C18 (1)
Stoich.:	ABC3D5E17F18 (1)
Weight, g/mol:	409.091722
ΔH_f, kcal/mol:	-114.18
Dipole, Da:	5.38
IP(EA), eV:	-9.89(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-[2-(6-methylpyridin-3-yl)-5-(trifluoromethyl)phenoxy]-3H-pyridazine-2-carboximidoyl chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C2=C(C=C(C=C2)C(F)(F)F)O[C@]3(C=CC(=N)N3C(N)Cl)N

DOS

IR

Vibrations