Geometry & MOs

Info

ID:	21070
PubChem CID:	587093
Reduced:	ClON3F6H14C18 (1)
Stoich.:	ABC3D6E14F18 (1)
Weight, g/mol:	437.072959
ΔH_f, kcal/mol:	-302.43
Dipole, Da:	9.97
IP(EA), eV:	-10.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[amino-(4-methylphenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations