Geometry & MOs

Info

ID:	441862
PubChem CID:	135246151
Reduced:	OF3N5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	470.147822
ΔH_f, kcal/mol:	-29.18
Dipole, Da:	2.61
IP(EA), eV:	-8.57(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(N-amino-2-fluoroanilino)-2-pyridin-4-yl-1-[3-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]-1,2,4-oxadiazol-5-yl]ethenamine

Drug info:

PubChemData

Smile

CC/C(=C(\C1=NC(=NO1)C2=C(C=CC(=C2)F)F)/N)/N(C3=CC=CC=C3F)N

DOS

IR

Vibrations