Geometry & MOs

Info

ID:	431022
PubChem CID:	135171092
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	450.98047
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	2.58
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,1Z)-3-amino-N-(3-fluoropyridin-2-yl)-2-[4-(trifluoromethoxy)phenyl]prop-2-enimidoyl iodide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C3CC3)C=C1C(=O)O

DOS

IR

Vibrations